Molecule

ID:83128

General Information
Structure
MolImage
Molecular Formula
C₉H₅ClN₂O₂
Molecular Mass
208.6012
Exact Mass
208.00395509
Charge
0
InChI
InChI=1S/C9H5ClN2O2/c10-7(13)9-12-11-8(14-9)6-4-2-1-3-5-6/h1-5H
InChIKey
BNBPFMDHCGJSSB-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1nnc(o1)c1ccccc1
Isomeric Smiles
o1c(nnc1c1ccccc1)C(=O)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.5479132
LogD (pH = 7.4)
1.5479132
Log P
1.5479132
Molar Refractivity
62.6771
Polarizability
19.549309
Polar Surface Area
55.99
Rotatable Bonds
2
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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