Molecule

ID:29215

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄ClN
Molecular Mass
231.72066
Exact Mass
231.08147713
Charge
0
InChI
InChI=1S/C14H14ClN/c1-11-7-8-13(15)9-14(11)16-10-12-5-3-2-4-6-12/h2-9,16H,10H2,1H3
InChIKey
QYSCIEUYCPKLLT-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)NCc1ccccc1)C
Isomeric Smiles
c1(NCc2ccccc2)cc(ccc1C)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.285069
LogD (pH = 7.4)
4.2879267
Log P
4.287963
Molar Refractivity
70.7104
Polarizability
26.539734
Polar Surface Area
12.03
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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