Molecule

ID:87196

General Information
Structure
MolImage
Molecular Formula
C₄H₆O
Molecular Mass
70.08984
Exact Mass
70.04186481
Charge
0
InChI
InChI=1S/C4H6O/c5-4-2-1-3-4/h1-3H2
InChIKey
SHQSVMDWKBRBGB-UHFFFAOYSA-N
Canonic Smiles
O=C1CCC1
Isomeric Smiles
O=C1CCC1
Calculated Properties
JChem
Acid pKa
19.567911
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.59905696
LogD (pH = 7.4)
0.59905696
Log P
0.59905696
Molar Refractivity
19.0454
Polarizability
7.445063
Polar Surface Area
17.07
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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