Molecule
ID:122145
General Information
Molecular Formula
C₁₃H₁₅ClN₂
Molecular Mass
234.7246
Exact Mass
234.09237617
Charge
0
InChI
InChI=1S/C13H15ClN2/c1-10-13(8-9-14)11(2)16(15-10)12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3
InChIKey
MAHLRLOXCOTWFF-UHFFFAOYSA-N
Canonic Smiles
ClCCc1c(C)nn(c1C)c1ccccc1
Isomeric Smiles
n1(nc(c(c1C)CCCl)C)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.2648032
LogD (pH = 7.4)
3.2658854
Log P
3.2658992
Molar Refractivity
68.7828
Polarizability
26.350988
Polar Surface Area
17.82
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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