Molecule

ID:2821

General Information
Structure
MolImage
Molecular Formula
C₅H₁₂
Molecular Mass
72.14878
Exact Mass
72.09390038
Charge
0
InChI
InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3
InChIKey
OFBQJSOFQDEBGM-UHFFFAOYSA-N
Canonic Smiles
CCCCC
Isomeric Smiles
CCCCC
Calculated Properties
JChem
LogD (pH = 7.4)
2.69
LogD (pH = 5.5)
2.69
Log P
2.69
Rotatable Bonds
2
H Donor
0
H Acceptors
0
Lipinski's Rule of Five
true
Polar Surface Area
0.00
Polarizability
10.27
Molar Refractivity
24.81
LOG S
-2.41
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation