Molecule

ID:65058

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀O₃
Molecular Mass
130.1418
Exact Mass
130.06299418
Charge
0
InChI
InChI=1S/C6H10O3/c1-5(8-2)4-6(7)9-3/h4H,1-3H3/b5-4+
InChIKey
RJSHZZLJYZOHRU-SNAWJCMRSA-N
Canonic Smiles
CO/C(=C/C(=O)OC)/C
Isomeric Smiles
C(=C(\OC)/C)/C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.506929
LogD (pH = 7.4)
0.506929
Log P
0.506929
Molar Refractivity
34.6085
Polarizability
13.032595
Polar Surface Area
35.53
Rotatable Bonds
3
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
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References
Bioactivity
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