Molecule

ID:31165

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀ClN
Molecular Mass
225.7576
Exact Mass
225.12842733
Charge
0
InChI
InChI=1S/C13H19N.ClH/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11;/h1-3,6-7,12-13H,4-5,8-10,14H2;1H
InChIKey
DTKWQFVDXKZAHD-UHFFFAOYSA-N
Canonic Smiles
NC1CCCCC1Cc1ccccc1.Cl
Isomeric Smiles
C1(Cc2ccccc2)C(N)CCCC1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.09086435
LogD (pH = 7.4)
0.4374944
Log P
3.1171572
Molar Refractivity
60.1006
Polarizability
24.007141
Polar Surface Area
26.02
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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