Molecule

ID:116914

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇ClN₂
Molecular Mass
224.72978
Exact Mass
224.10802623
Charge
0
InChI
InChI=1S/C12H17ClN2/c1-2-15-8-7-14-12(9-15)10-3-5-11(13)6-4-10/h3-6,12,14H,2,7-9H2,1H3
InChIKey
WUBBQLNBKRMPEB-UHFFFAOYSA-N
Canonic Smiles
CCN1CCNC(C1)c1ccc(cc1)Cl
Isomeric Smiles
N1(CC(NCC1)c1ccc(cc1)Cl)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.65737003
LogD (pH = 7.4)
0.9495255
Log P
2.399334
Molar Refractivity
64.5797
Polarizability
25.562471
Polar Surface Area
15.27
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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