Molecule

ID:111920

General Information
Structure
MolImage
Molecular Formula
C₇H₁₆
Molecular Mass
100.20194
Exact Mass
100.12520051
Charge
0
InChI
InChI=1S/C7H16/c1-5-6-7(2,3)4/h5-6H2,1-4H3
InChIKey
CXOWYJMDMMMMJO-UHFFFAOYSA-N
Canonic Smiles
CCCC(C)(C)C
Isomeric Smiles
CCCC(C)(C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.2736354
LogD (pH = 7.4)
3.2736354
Log P
3.2736354
Molar Refractivity
33.8309
Polarizability
13.67605
Polar Surface Area
0.0
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
Loading...
References
Loading...
Bioactivity
Loading...