Molecule

ID:34884

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₂ClN
Molecular Mass
217.69408
Exact Mass
217.06582707
Charge
0
InChI
InChI=1S/C13H12ClN/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2
InChIKey
IYPJWKLHPNECFJ-UHFFFAOYSA-N
Canonic Smiles
Clc1c2CCCCc2nc2c1cccc2
Isomeric Smiles
n1c2c(c(c3c1cccc3)Cl)CCCC2
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.0396643
LogD (pH = 7.4)
4.060838
Log P
4.0611153
Molar Refractivity
61.8425
Polarizability
25.323215
Polar Surface Area
12.89
Rotatable Bonds
0
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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