Molecule

ID:112620

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆ClNO₂
Molecular Mass
207.61314
Exact Mass
207.00870612
Charge
0
InChI
InChI=1S/C10H6ClNO2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h1-4H,12H2
InChIKey
OBLNWSCLAYSJJR-UHFFFAOYSA-N
Canonic Smiles
NC1=C(Cl)C(=O)c2c(C1=O)cccc2
Isomeric Smiles
NC1=C(Cl)C(=O)c2ccccc2C1=O
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.72743165
LogD (pH = 7.4)
0.72743165
Log P
0.72743165
Molar Refractivity
54.5994
Polarizability
19.847187
Polar Surface Area
60.16
Rotatable Bonds
0
Lipinski's Rule of Five
true
Acid pKa
19.452538
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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