EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	8O4UTW9E17
EPA CompTox	DTXSID3060164

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

8O4UTW9E17

EPA CompTox

DTXSID3060164


InChI Key	AAAQKTZKLRYKHR-UHFFFAOYSA-N
Smiles	C=1C=CC(=CC1)C(C=2C=CC=CC2)C=3C=CC=CC3
InChI	InChI=1/C19H16/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,19H

InChI Key

AAAQKTZKLRYKHR-UHFFFAOYSA-N

Smiles

C=1C=CC(=CC1)C(C=2C=CC=CC2)C=3C=CC=CC3

InChI

InChI=1/C19H16/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,19H

Property Name	Value
Molecular Formula	C19H16
Molecular Weight	244.13
AlogP	4.87
Number of Rotational Bond	3.0
Heavy Atoms	19.0

Property Name

Value

Molecular Formula

C19H16

Molecular Weight

244.13

AlogP

4.87

Number of Rotational Bond

3.0

Heavy Atoms

19.0

Resources	Reference
CAS NUMBER	519-73-3
NORMAN SUSDAT
FDA SRS	8O4UTW9E17
PubChem	10614

Resources

Reference

CAS NUMBER

519-73-3

NORMAN SUSDAT

FDA SRS

8O4UTW9E17

PubChem

10614

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

TRIPHENYLMETHANE

Structure

Physicochemical Descriptors

Cross References