Molecule

ID:134720

General Information
Structure
MolImage
Molecular Formula
C₁₄H₃₁N
Molecular Mass
213.40264
Exact Mass
213.24565
Charge
0
InChI
InChI=1S/C14H31N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-15H2,1H3
InChIKey
PLZVEHJLHYMBBY-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCN
Isomeric Smiles
CCCCCCCCCCCCCCN
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.1201386
LogD (pH = 7.4)
2.539915
Log P
5.144127
Molar Refractivity
69.8024
Polarizability
28.1184
Polar Surface Area
26.02
Rotatable Bonds
12
Lipinski's Rule of Five
false
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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