Molecule

ID:119614

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀O₃
Molecular Mass
190.1953
Exact Mass
190.06299418
Charge
0
InChI
InChI=1S/C11H10O3/c1-8(6-12)4-9-2-3-10-11(5-9)14-7-13-10/h2-6H,7H2,1H3/b8-4+
InChIKey
VLNPUVFEUOBXDK-XBXARRHUSA-N
Canonic Smiles
O=C/C(=C/c1ccc2c(c1)OCO2)/C
Isomeric Smiles
c12c(OCO1)ccc(/C=C(/C=O)\C)c2
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.996254
LogD (pH = 7.4)
1.996254
Log P
1.996254
Molar Refractivity
52.2585
Polarizability
20.061493
Polar Surface Area
35.53
Rotatable Bonds
2
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
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References
Bioactivity
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