Molecule

ID:89163

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇ClN₂
Molecular Mass
190.62898
Exact Mass
190.02977591
Charge
0
InChI
InChI=1S/C10H7ClN2/c11-5-9-4-8-2-1-7(6-12)3-10(8)13-9/h1-4,13H,5H2
InChIKey
MBKIQLOOKOYXGH-UHFFFAOYSA-N
Canonic Smiles
ClCc1cc2c([nH]1)cc(cc2)C#N
Isomeric Smiles
[nH]1c(cc2c1cc(cc2)C#N)CCl
Calculated Properties
JChem
Acid pKa
14.858008
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.4353473
LogD (pH = 7.4)
2.435347
Log P
2.4353473
Molar Refractivity
52.6105
Polarizability
21.020792
Polar Surface Area
39.58
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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