Molecule

ID:76214

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅Cl₂N
Molecular Mass
268.1816
Exact Mass
267.05815485
Charge
0
InChI
InChI=1S/C14H14ClN.ClH/c15-13-8-6-12(7-9-13)14(10-16)11-4-2-1-3-5-11;/h1-9,14H,10,16H2;1H
InChIKey
KYGYPNIZCSHFEW-UHFFFAOYSA-N
Canonic Smiles
NCC(c1ccccc1)c1ccc(cc1)Cl.Cl
Isomeric Smiles
Clc1ccc(cc1)C(c1ccccc1)CN.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.4860081
LogD (pH = 7.4)
1.2626014
Log P
3.4904969
Molar Refractivity
68.6578
Polarizability
26.936853
Polar Surface Area
26.02
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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