Molecule

ID:36238

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃ClN₂
Molecular Mass
196.67662
Exact Mass
196.07672611
Charge
0
InChI
InChI=1S/C10H13ClN2/c11-8-1-3-9(4-2-8)13-10-5-6-12-7-10/h1-4,10,12-13H,5-7H2
InChIKey
PSFRLEXMICVMCG-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)NC1CNCC1
Isomeric Smiles
N1CCC(Nc2ccc(Cl)cc2)C1
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.600099
LogD (pH = 7.4)
-1.2099701
Log P
1.633867
Molar Refractivity
56.3476
Polarizability
21.480099
Polar Surface Area
24.06
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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