Molecule

ID:55191

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀ClN
Molecular Mass
213.7469
Exact Mass
213.12842733
Charge
0
InChI
InChI=1S/C12H19N.ClH/c1-10(2)11(3)13-9-12-7-5-4-6-8-12;/h4-8,10-11,13H,9H2,1-3H3;1H
InChIKey
SJMBHPWYOWFYKS-UHFFFAOYSA-N
Canonic Smiles
CC(C(C)C)NCc1ccccc1.Cl
Isomeric Smiles
c1(ccccc1)CNC(C)C(C)C.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.033149242
LogD (pH = 7.4)
0.55807143
Log P
3.192473
Molar Refractivity
57.469
Polarizability
22.984793
Polar Surface Area
12.03
Rotatable Bonds
4
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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