Molecule

ID:61771

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀O₃
Molecular Mass
142.1525
Exact Mass
142.06299418
Charge
0
InChI
InChI=1S/C7H10O3/c1-2-10-7(8)3-6-4-9-5-6/h3H,2,4-5H2,1H3
InChIKey
CVZGHWOZWYWLBL-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C=C1COC1
Isomeric Smiles
C(=O)(C=C1COC1)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.49914017
LogD (pH = 7.4)
0.49914017
Log P
0.49914017
Molar Refractivity
36.8039
Polarizability
14.148885
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
References
Bioactivity
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