Molecule

ID:48693

General Information
Structure
Molecular Formula
C₁₃H₁₃ClN₂
Molecular Mass
232.70872
Exact Mass
232.07672611
Charge
0
InChI
InChI=1S/C13H13ClN2/c1-16(10-11-6-3-2-4-7-11)13-9-5-8-12(14)15-13/h2-9H,10H2,1H3
InChIKey
QYMHFUDSNAUJNZ-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc(n1)N(Cc1ccccc1)C
Isomeric Smiles
n1c(N(Cc2ccccc2)C)cccc1Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.0063334
LogD (pH = 7.4)
4.0067644
Log P
4.0067697
Molar Refractivity
69.1219
Polarizability
25.772434
Polar Surface Area
16.13
Rotatable Bonds
3
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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