Molecule

ID:76742

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀O₃
Molecular Mass
142.1525
Exact Mass
142.06299418
Charge
0
InChI
InChI=1S/C7H10O3/c1-4-7(3)5(2)9-6(8)10-7/h2,4H2,1,3H3
InChIKey
NZNQXRMOAPYWRJ-UHFFFAOYSA-N
Canonic Smiles
CC1(CC)OC(=O)OC1=C
Isomeric Smiles
O1C(=C)C(OC1=O)(CC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8101945
LogD (pH = 7.4)
1.8101945
Log P
1.8101945
Molar Refractivity
35.4111
Polarizability
14.148885
Polar Surface Area
35.53
Rotatable Bonds
1
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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