Molecule

ID:80084

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀ClN
Molecular Mass
213.7469
Exact Mass
213.12842733
Charge
0
InChI
InChI=1S/C12H19N.ClH/c1-2-3-4-5-11-6-8-12(10-13)9-7-11;/h6-9H,2-5,10,13H2,1H3;1H
InChIKey
YKYLFYOEGHUVPA-UHFFFAOYSA-N
Canonic Smiles
CCCCCc1ccc(cc1)CN.Cl
Isomeric Smiles
NCc1ccc(cc1)CCCCC.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.39835796
LogD (pH = 7.4)
1.3001713
Log P
3.3907104
Molar Refractivity
57.9766
Polarizability
22.901327
Polar Surface Area
26.02
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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