Molecule

ID:12182

General Information
Structure
MolImage
Molecular Formula
C₄H₆O
Molecular Mass
70.08984
Exact Mass
70.04186481
Charge
0
InChI
InChI=1S/C4H6O/c1-2-3-4-5/h1,5H,3-4H2
InChIKey
OTJZCIYGRUNXTP-UHFFFAOYSA-N
Canonic Smiles
OCCC#C
Isomeric Smiles
C#CCCO
Calculated Properties
JChem
LogD (pH = 7.4)
-0.00
LogD (pH = 5.5)
-0.00
Log P
-0.00
Rotatable Bonds
1
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
16.34
Polar Surface Area
20.23
Polarizability
7.77
Molar Refractivity
20.60
LOG S
0.12
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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