Molecule

ID:41295

General Information
Structure
Molecular Formula
C₁₁H₁₀O₃
Molecular Mass
190.1953
Exact Mass
190.06299418
Charge
0
InChI
InChI=1S/C11H10O3/c1-13-11(12)9-6-8-4-2-3-5-10(8)14-7-9/h2-6H,7H2,1H3
InChIKey
BQSWGZOTQUTIEL-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C1=Cc2c(OC1)cccc2
Isomeric Smiles
C1(=Cc2c(OC1)cccc2)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.9909987
LogD (pH = 7.4)
1.9909987
Log P
1.9909987
Molar Refractivity
52.1627
Polarizability
20.080078
Polar Surface Area
35.53
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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