Molecule

ID:77699

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₉N
Molecular Mass
199.37606
Exact Mass
199.22999993
Charge
0
InChI
InChI=1S/C13H29N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h2-14H2,1H3
InChIKey
ABVVEAHYODGCLZ-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCN
Isomeric Smiles
NCCCCCCCCCCCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.6755699
LogD (pH = 7.4)
2.0953465
Log P
4.6995583
Molar Refractivity
65.2014
Polarizability
26.27136
Polar Surface Area
26.02
Rotatable Bonds
11
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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