Molecule

ID:68774

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄Cl₂N₂
Molecular Mass
233.13756
Exact Mass
232.05340382
Charge
0
InChI
InChI=1S/C10H13ClN2.ClH/c11-9-3-1-2-4-10(9)13-7-5-12-6-8-13;/h1-4,12H,5-8H2;1H
InChIKey
GUTWDZXWTKMXPI-UHFFFAOYSA-N
Canonic Smiles
Clc1ccccc1N1CCNCC1.Cl
Isomeric Smiles
N1(CCNCC1)c1c(cccc1)Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.835547
LogD (pH = 7.4)
0.7059826
Log P
2.149406
Molar Refractivity
56.0468
Polarizability
21.495274
Polar Surface Area
15.27
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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