Molecule

ID:51296

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₈ClN
Molecular Mass
223.74172
Exact Mass
223.11277726
Charge
0
InChI
InChI=1S/C13H17N.ClH/c1-2-4-12-11(3-1)5-6-13(12)7-9-14-10-8-13;/h1-4,14H,5-10H2;1H
InChIKey
ALQOOMOOZAZVBQ-UHFFFAOYSA-N
Canonic Smiles
N1CCC2(CC1)CCc1c2cccc1.Cl
Isomeric Smiles
C12(c3c(CC1)cccc3)CCNCC2.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.79279625
LogD (pH = 7.4)
-0.11853773
Log P
2.4280534
Molar Refractivity
59.1931
Polarizability
23.178427
Polar Surface Area
12.03
Rotatable Bonds
0
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
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Molecule Details
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References
Bioactivity
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