Molecule

ID:10650

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₉N
Molecular Mass
199.37606
Exact Mass
199.22999993
Charge
0
InChI
InChI=1S/C13H29N/c1-3-4-5-6-7-8-9-10-11-12-13(2)14/h13H,3-12,14H2,1-2H3
InChIKey
WCLHZVGJULAEJH-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCC(N)C
Isomeric Smiles
CC(CCCCCCCCCCC)N
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.6439037
LogD (pH = 7.4)
1.940205
Log P
4.6715646
Molar Refractivity
65.0192
Polarizability
26.27136
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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