Molecule

ID:136159

General Information
Structure
MolImage
Molecular Formula
C₅H₆O₂
Molecular Mass
101.07790451
Exact Mass
101.04684395
Charge
0
InChI
InChI=1S/C5H6O2/c1-3-5(6)7-4-2/h1H,4H2,2H3/i1+1,3+1,5+1
InChIKey
FMVJYQGSRWVMQV-CGANOEODSA-N
Canonic Smiles
CCO[13C](=O)[13C]#[13CH]
Isomeric Smiles
CCO[13C](=O)[13C]#[13CH]
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.91800505
LogD (pH = 7.4)
0.91800505
Log P
0.91800505
Molar Refractivity
25.3017
Polarizability
9.635451
Polar Surface Area
26.3
Rotatable Bonds
2
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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