Molecule

ID:71282

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇ClN₂
Molecular Mass
190.62898
Exact Mass
190.02977591
Charge
0
InChI
InChI=1S/C10H7ClN2/c11-10-2-1-9(7-13-10)8-3-5-12-6-4-8/h1-7H
InChIKey
AZESIBFJNSNUBT-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cn1)c1ccncc1
Isomeric Smiles
n1c(ccc(c1)c1ccncc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.9447083
LogD (pH = 7.4)
2.0084553
Log P
2.0093482
Molar Refractivity
52.7465
Polarizability
21.417555
Polar Surface Area
25.78
Rotatable Bonds
1
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
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References
Bioactivity
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