Molecule

ID:128774

General Information
Structure
MolImage
Molecular Formula
C₃H₄O
Molecular Mass
56.06326
Exact Mass
56.02621475
Charge
0
InChI
InChI=1S/C3H4O/c1-2-4-3-1/h1-2H,3H2
InChIKey
CRYATLIDHPPXDV-UHFFFAOYSA-N
Canonic Smiles
C1OC=C1
Isomeric Smiles
O1C=CC1
Calculated Properties
JChem
LogD (pH = 7.4)
0.25
LogD (pH = 5.5)
0.25
Log P
0.25
Rotatable Bonds
0
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
14.51
Polar Surface Area
9.23
Polarizability
5.61
Molar Refractivity
15.89
LOG S
-0.50
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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