Molecule

ID:89843

General Information
Structure
MolImage
Molecular Formula
C₄H₆O
Molecular Mass
70.08984
Exact Mass
70.04186481
Charge
0
InChI
InChI=1S/C4H6O/c1-2-4-5-3-1/h1-2H,3-4H2
InChIKey
ARGCQEVBJHPOGB-UHFFFAOYSA-N
Canonic Smiles
O1CC=CC1
Isomeric Smiles
O1CC=CC1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.48024017
LogD (pH = 7.4)
0.48024017
Log P
0.48024017
Molar Refractivity
21.3621
Polarizability
7.817887
Polar Surface Area
9.23
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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