Molecule

ID:21498

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀ClN
Molecular Mass
213.7469
Exact Mass
213.12842733
Charge
0
InChI
InChI=1S/C12H19N.ClH/c1-4-11(3)13-9-12-7-5-10(2)6-8-12;/h5-8,11,13H,4,9H2,1-3H3;1H
InChIKey
FREDJYJYSKVQEZ-UHFFFAOYSA-N
Canonic Smiles
CCC(NCc1ccc(cc1)C)C.Cl
Isomeric Smiles
N(Cc1ccc(cc1)C)C(CC)C.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.11964872
LogD (pH = 7.4)
0.78719157
Log P
3.3409214
Molar Refractivity
58.0386
Polarizability
22.90238
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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