Molecule

ID:128295

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀O₃
Molecular Mass
154.1632
Exact Mass
154.06299418
Charge
0
InChI
InChI=1S/C8H10O3/c1-5(2)7(9)11-8(10)6(3)4/h1,3H2,2,4H3
InChIKey
DCUFMVPCXCSVNP-UHFFFAOYSA-N
Canonic Smiles
O=C(C(=C)C)OC(=O)C(=C)C
Isomeric Smiles
O=C(OC(=O)C(=C)C)C(=C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.4578342
LogD (pH = 7.4)
2.4578342
Log P
2.4578342
Molar Refractivity
40.0916
Polarizability
15.836504
Polar Surface Area
43.37
Rotatable Bonds
4
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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