Molecule

ID:1686

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀O
Molecular Mass
86.1323
Exact Mass
86.07316494
Charge
0
InChI
InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3
InChIKey
HGBOYTHUEUWSSQ-UHFFFAOYSA-N
Canonic Smiles
CCCCC=O
Isomeric Smiles
CCCCC=O
Calculated Properties
JChem
LogD (pH = 7.4)
1.21
LogD (pH = 5.5)
1.21
Log P
1.21
Rotatable Bonds
3
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
17.95
Polar Surface Area
17.07
Polarizability
10.30
Molar Refractivity
25.55
LOG S
-0.67
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