Molecule

ID:34721

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃ClN₂
Molecular Mass
196.67662
Exact Mass
196.07672611
Charge
0
InChI
InChI=1S/C10H13ClN2/c11-9-1-3-10(4-2-9)13-7-5-12-6-8-13/h1-4,12H,5-8H2
InChIKey
UNEIHNMKASENIG-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)N1CCNCC1
Isomeric Smiles
N1(c2ccc(cc2)Cl)CCNCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.8536226
LogD (pH = 7.4)
0.6664841
Log P
2.149406
Molar Refractivity
56.0468
Polarizability
21.479546
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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