Molecule

ID:87353

General Information
Structure
MolImage
Molecular Formula
C₄H₈O
Molecular Mass
72.10572
Exact Mass
72.05751488
Charge
0
InChI
InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2
InChIKey
WYURNTSHIVDZCO-UHFFFAOYSA-N
Canonic Smiles
C1CCCO1
Isomeric Smiles
O1CCCC1
Calculated Properties
JChem
LogD (pH = 7.4)
0.53
LogD (pH = 5.5)
0.53
Log P
0.53
Rotatable Bonds
0
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
-4.12
Polar Surface Area
9.23
Polarizability
8.14
Molar Refractivity
20.55
LOG S
-0.01
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