Molecule

ID:110770

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀O₂
Molecular Mass
102.1317
Exact Mass
102.06807956
Charge
0
InChI
InChI=1S/C5H10O2/c1-5(2,3)4(6)7/h1-3H3,(H,6,7)
InChIKey
IUGYQRQAERSCNH-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(C)(C)C
Isomeric Smiles
CC(C)(C)C(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-0.86
LogD (pH = 5.5)
0.90
Log P
1.58
Rotatable Bonds
1
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
4.93
Polar Surface Area
37.30
Polarizability
10.93
Molar Refractivity
26.35
LOG S
-0.50
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