Molecule

ID:68296

General Information
Structure
Molecular Formula
C₁₀H₆ClNO
Molecular Mass
191.61374
Exact Mass
191.0137915
Charge
0
InChI
InChI=1S/C10H6ClNO/c11-10-9(6-13)8-4-2-1-3-7(8)5-12-10/h1-6H
InChIKey
HMSMGFVSFVMHFQ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(Cl)ncc2c1cccc2
Isomeric Smiles
c1nc(c(c2ccccc12)C=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.2817707
LogD (pH = 7.4)
2.2817743
Log P
2.2817743
Molar Refractivity
52.8014
Polarizability
20.77602
Polar Surface Area
29.96
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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