EcoDrugPlus


Keyword(s):	Food Contact Chemicals
Molecule Category	Free-form
UNII	47E5O17Y3R
EPA CompTox	DTXSID4040763

Keyword(s):

Food Contact Chemicals

Molecule Category

Free-form

UNII

47E5O17Y3R

EPA CompTox

DTXSID4040763


InChI Key	COLNVLDHVKWLRT-QMMMGPOBSA-N
Smiles	N[C@@H](Cc1ccccc1)C(=O)O
InChI	InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1

InChI Key

COLNVLDHVKWLRT-QMMMGPOBSA-N

Smiles

N[C@@H](Cc1ccccc1)C(=O)O

InChI

InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1

Property Name	Value
Molecular Formula	C9H11NO2
Molecular Weight	165.08
AlogP	0.64
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	3.0
Polar Surface Area	63.32
Heavy Atoms	12.0

Property Name

Value

Molecular Formula

C9H11NO2

Molecular Weight

165.08

AlogP

0.64

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

3.0

Polar Surface Area

63.32

Heavy Atoms

12.0

Resources	Reference
CAS NUMBER	63-91-2
NORMAN SUSDAT
FDA SRS	47E5O17Y3R
PubChem	6140

Resources

Reference

CAS NUMBER

63-91-2

NORMAN SUSDAT

FDA SRS

47E5O17Y3R

PubChem

6140

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

L-PHENYLALANINE

Structure

Physicochemical Descriptors

Cross References