Molecule

ID:76124

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₃Cl₂N
Molecular Mass
254.15502
Exact Mass
253.04250478
Charge
0
InChI
InChI=1S/C13H12ClN.ClH/c14-13-6-4-11(5-7-13)12-3-1-2-10(8-12)9-15;/h1-8H,9,15H2;1H
InChIKey
CSGLTGDPVNOESA-UHFFFAOYSA-N
Canonic Smiles
NCc1cccc(c1)c1ccc(cc1)Cl.Cl
Isomeric Smiles
Clc1ccc(cc1)c1cccc(c1)CN.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.36639163
LogD (pH = 7.4)
1.336315
Log P
3.3502843
Molar Refractivity
64.4724
Polarizability
26.58294
Polar Surface Area
26.02
Rotatable Bonds
2
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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