Molecule

ID:8091

General Information
Structure
Molecular Formula
C₇H₁₄O₂
Molecular Mass
130.18486
Exact Mass
130.09937969
Charge
0
InChI
InChI=1S/C7H14O2/c1-6(2)4-3-5-7(8)9/h6H,3-5H2,1-2H3,(H,8,9)
InChIKey
MHPUGCYGQWGLJL-UHFFFAOYSA-N
Canonic Smiles
CC(CCCC(=O)O)C
Isomeric Smiles
C(CCC(=O)O)C(C)C
Calculated Properties
JChem
Acid pKa
5.147891
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.5863713
LogD (pH = 7.4)
-0.13427126
Log P
2.0979152
Molar Refractivity
35.6222
Polarizability
14.140562
Polar Surface Area
37.3
Rotatable Bonds
4
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