Molecule

ID:128655

General Information
Structure
Molecular Formula
C₇H₁₂
Molecular Mass
96.17018
Exact Mass
96.09390038
Charge
0
InChI
InChI=1S/C7H12/c1-2-7-4-3-6(1)5-7/h6-7H,1-5H2
InChIKey
UMRZSTCPUPJPOJ-UHFFFAOYSA-N
Canonic Smiles
C1CC2CC1CC2
Isomeric Smiles
C1CC2CCC1C2
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.3331556
LogD (pH = 7.4)
2.3331556
Log P
2.3331556
Molar Refractivity
30.3
Polarizability
12.18565
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation