Molecule

ID:23554

General Information
Structure
Molecular Formula
C₁₄H₂₀ClN
Molecular Mass
237.7683
Exact Mass
237.12842733
Charge
0
InChI
InChI=1S/C14H19N.ClH/c1-4-10-14(15,11-5-2)13-8-6-12(3)7-9-13;/h4-9H,1-2,10-11,15H2,3H3;1H
InChIKey
ZPKUITKZVIHSPR-UHFFFAOYSA-N
Canonic Smiles
C=CCC(c1ccc(cc1)C)(CC=C)[NH3+].[Cl-]
Isomeric Smiles
C([NH3+])(c1ccc(cc1)C)(CC=C)CC=C.[Cl-]
Calculated Properties
JChem
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
0.61729306
LogD (pH = 7.4)
1.1723037
Log P
3.6357934
Molar Refractivity
78.2606
Polarizability
26.04994
Polar Surface Area
27.64
Rotatable Bonds
5
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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