Molecule

ID:17015

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇ClN₂
Molecular Mass
224.72978
Exact Mass
224.10802623
Charge
0
InChI
InChI=1S/C12H17ClN2/c13-11-6-2-1-5-10(11)12(9-14)15-7-3-4-8-15/h1-2,5-6,12H,3-4,7-9,14H2
InChIKey
IZHQBEMKODNZFF-UHFFFAOYSA-N
Canonic Smiles
NCC(c1ccccc1Cl)N1CCCC1
Isomeric Smiles
C(c1c(cccc1)Cl)(N1CCCC1)CN
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.468516
LogD (pH = 7.4)
0.59662944
Log P
2.187268
Molar Refractivity
64.5665
Polarizability
25.567661
Polar Surface Area
29.26
Rotatable Bonds
3
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
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References
Bioactivity
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