Molecule

ID:112769

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₄
Molecular Mass
180.32966
Exact Mass
180.18780077
Charge
0
InChI
InChI=1S/C13H24/c1-3-5-7-9-11-13-12-10-8-6-4-2/h1H,4-13H2,2H3
InChIKey
GZEDKDBFUBPZNG-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCC#C
Isomeric Smiles
CCCCCCCCCCCC#C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.4359636
LogD (pH = 7.4)
5.4359636
Log P
5.4359636
Molar Refractivity
60.0768
Polarizability
23.646946
Polar Surface Area
0.0
Rotatable Bonds
9
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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