Molecule

ID:76907

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄ClN
Molecular Mass
207.69926
Exact Mass
207.08147713
Charge
0
InChI
InChI=1S/C12H13N.ClH/c1-13-9-11-7-4-6-10-5-2-3-8-12(10)11;/h2-8,13H,9H2,1H3;1H
InChIKey
BVJVHPKFDIYQOU-UHFFFAOYSA-N
Canonic Smiles
CNCc1cccc2c1cccc2.Cl
Isomeric Smiles
N(Cc1cccc2ccccc12)C.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.6959602
LogD (pH = 7.4)
0.034333013
Log P
2.5210714
Molar Refractivity
55.7562
Polarizability
23.243214
Polar Surface Area
12.03
Rotatable Bonds
2
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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