Molecule

ID:75266

General Information
Structure
MolImage
Molecular Formula
C₈H₅ClN₂O₂
Molecular Mass
196.5905
Exact Mass
196.00395509
Charge
0
InChI
InChI=1S/C8H5ClN2O2/c9-4-1-2-5-6(3-4)11-8(13)7(12)10-5/h1-3H,(H,10,12)(H,11,13)
InChIKey
RNOLFZACEWWIHP-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2c(c1)nc(c(n2)O)O
Isomeric Smiles
n1c(c(nc2cc(ccc12)Cl)O)O
Calculated Properties
JChem
Acid pKa
11.100231
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
2.4849064
LogD (pH = 7.4)
2.484822
Log P
2.4849074
Molar Refractivity
46.844
Polarizability
19.160807
Polar Surface Area
66.24
Rotatable Bonds
0
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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