EcoDrugPlus


Synonyms	Cefazolin Cephazolin J01DB04 SK&F-41558
Status
Molecule Category	Free-form
ATC	J01DB04
UNII	IHS69L0Y4T
EPA CompTox	DTXSID2022753

Synonyms

Cefazolin

Cephazolin

J01DB04

SK&F-41558

Status

Molecule Category

Free-form

ATC

J01DB04

UNII

IHS69L0Y4T

EPA CompTox

DTXSID2022753


InChI Key	MLYYVTUWGNIJIB-BXKDBHETSA-N
Smiles	Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)Cn4cnnn4)[C@H]3SC2)s1
InChI	InChI=1S/C14H14N8O4S3/c1-6-17-18-14(29-6)28-4-7-3-27-12-9(11(24)22(12)10(7)13(25)26)16-8(23)2-21-5-15-19-20-21/h5,9,12H,2-4H2,1H3,(H,16,23)(H,25,26)/t9-,12-/m1/s1

InChI Key

MLYYVTUWGNIJIB-BXKDBHETSA-N

Smiles

Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)Cn4cnnn4)[C@H]3SC2)s1

InChI

InChI=1S/C14H14N8O4S3/c1-6-17-18-14(29-6)28-4-7-3-27-12-9(11(24)22(12)10(7)13(25)26)16-8(23)2-21-5-15-19-20-21/h5,9,12H,2-4H2,1H3,(H,16,23)(H,25,26)/t9-,12-/m1/s1

Property Name	Value
Molecular Formula	C14H14N8O4S3
Molecular Weight	454.52
AlogP	-0.64
Hydrogen Bond Acceptor	12.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	7.0
Polar Surface Area	156.09
Molecular species	ACID
Aromatic Rings	2.0
Heavy Atoms	29.0

Property Name

Value

Molecular Formula

C14H14N8O4S3

Molecular Weight

454.52

AlogP

-0.64

Hydrogen Bond Acceptor

12.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

7.0

Polar Surface Area

156.09

Molecular species

ACID

Aromatic Rings

2.0

Heavy Atoms

29.0

Resources	Reference
ChEBI	474053
ChEMBL	CHEMBL1435
DrugBank	DB01327
DrugCentral	530
FDA SRS	IHS69L0Y4T
Human Metabolome Database	HMDB0015422
Guide to Pharmacology	10935
KEGG	C06880
PubChem	33255
SureChEMBL	SCHEMBL2841
ZINC	ZINC000003830405

Resources

Reference

ChEBI

ChEMBL

DrugBank

DrugCentral

FDA SRS

Human Metabolome Database

HMDB0015422

Guide to Pharmacology

KEGG

PubChem

SureChEMBL

ZINC

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

CEFAZOLIN

Structure

Physicochemical Descriptors

Cross References