Molecule

ID:59371

General Information
Structure
MolImage
Molecular Formula
C₉H₆ClNO₂
Molecular Mass
195.60244
Exact Mass
195.00870612
Charge
0
InChI
InChI=1S/C9H6ClNO2/c10-6-1-2-8(12)7(5-6)9-3-4-11-13-9/h1-5,12H
InChIKey
AAJXJLYUWKMQNO-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)c1ccno1)O
Isomeric Smiles
o1nccc1c1c(ccc(c1)Cl)O
Calculated Properties
JChem
Acid pKa
7.761417
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.2031407
LogD (pH = 7.4)
2.0499966
Log P
2.205497
Molar Refractivity
49.2994
Polarizability
19.739058
Polar Surface Area
46.26
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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