Molecule

ID:112096

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₈ClN
Molecular Mass
221.81042
Exact Mass
221.19102758
Charge
0
InChI
InChI=1S/C12H27N.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13;/h2-13H2,1H3;1H
InChIKey
TWFQJFPTTMIETC-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCN.Cl
Isomeric Smiles
Cl.CCCCCCCCCCCCN
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.2310013
LogD (pH = 7.4)
1.6507778
Log P
4.2549896
Molar Refractivity
60.6004
Polarizability
24.42432
Polar Surface Area
26.02
Rotatable Bonds
10
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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