Molecule

ID:74456

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅Cl₂N
Molecular Mass
232.1495
Exact Mass
231.05815485
Charge
0
InChI
InChI=1S/C11H14ClN.ClH/c12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;/h4-7,11,13H,1-3,8H2;1H
InChIKey
POXMBRSBLGHIQE-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)C1CCCCN1.Cl
Isomeric Smiles
N1C(c2ccc(cc2)Cl)CCCC1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.13959551
LogD (pH = 7.4)
0.8829071
Log P
3.0457726
Molar Refractivity
55.923
Polarizability
22.193726
Polar Surface Area
12.03
Rotatable Bonds
1
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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