Molecule

ID:130007

General Information
Structure
MolImage
Molecular Formula
C₄H₆O₃
Molecular Mass
102.08864
Exact Mass
102.03169405
Charge
0
InChI
InChI=1S/C4H6O3/c5-4-6-2-1-3-7-4/h1-3H2
InChIKey
YFHICDDUDORKJB-UHFFFAOYSA-N
Canonic Smiles
O=C1OCCCO1
Isomeric Smiles
O=C1OCCCO1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.43027428
LogD (pH = 7.4)
0.43027428
Log P
0.43027428
Molar Refractivity
21.9328
Polarizability
8.946674
Polar Surface Area
35.53
Rotatable Bonds
0
Lipinski's Rule of Five
true
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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