Molecule

ID:68213

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆ClNO₂
Molecular Mass
207.61314
Exact Mass
207.00870612
Charge
0
InChI
InChI=1S/C10H6ClNO2/c11-7-4-6-2-1-3-12-9(6)8(5-7)10(13)14/h1-5H,(H,13,14)
InChIKey
GGHKFVNCVUIGRP-UHFFFAOYSA-N
Canonic Smiles
Clc1cc2cccnc2c(c1)C(=O)O
Isomeric Smiles
n1cccc2cc(cc(c12)C(=O)O)Cl
Calculated Properties
JChem
Acid pKa
0.7464136
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.17828353
LogD (pH = 7.4)
-1.0939957
Log P
1.4478146
Molar Refractivity
52.0403
Polarizability
21.13914
Polar Surface Area
50.19
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation