Molecule

ID:81035

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇ClN₂
Molecular Mass
224.72978
Exact Mass
224.10802623
Charge
0
InChI
InChI=1S/C12H17ClN2/c1-15(2)9-5-8-14-10-11-6-3-4-7-12(11)13/h3-4,6-7,10H,5,8-9H2,1-2H3
InChIKey
IDICIXMXBBLHIV-UHFFFAOYSA-N
Canonic Smiles
CN(CCC/N=C/c1ccccc1Cl)C
Isomeric Smiles
N(=C\c1ccccc1Cl)/CCCN(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-1.044964
LogD (pH = 7.4)
0.441026
Log P
2.6047347
Molar Refractivity
67.2851
Polarizability
25.495333
Polar Surface Area
15.6
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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