Molecule

ID:71246

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀ClN
Molecular Mass
203.6675
Exact Mass
203.05017701
Charge
0
InChI
InChI=1S/C12H10ClN/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H,14H2
InChIKey
OREQWMWYRYXCDF-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)c1ccc(cc1)Cl
Isomeric Smiles
c1(c2ccc(N)cc2)ccc(cc1)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.3836968
LogD (pH = 7.4)
3.3954382
Log P
3.3955898
Molar Refractivity
60.6994
Polarizability
24.326838
Polar Surface Area
26.02
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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