Molecule

ID:110537

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈ClN
Molecular Mass
177.63022
Exact Mass
177.03452694
Charge
0
InChI
InChI=1S/C10H8ClN/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H,12H2
InChIKey
DEPDZGNUVOAZCW-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c2c1cccc2)N
Isomeric Smiles
Nc1ccc(Cl)c2c1cccc2
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.7352777
LogD (pH = 7.4)
2.737809
Log P
2.7378414
Molar Refractivity
52.0134
Polarizability
20.86703
Polar Surface Area
26.02
Rotatable Bonds
0
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
References
Bioactivity
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