Molecule

ID:105692

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂O₃
Molecular Mass
192.21118
Exact Mass
192.07864424
Charge
0
InChI
InChI=1S/C11H12O3/c1-3-4-8-5-9(12-2)11-10(6-8)13-7-14-11/h3,5-6H,1,4,7H2,2H3
InChIKey
BNWJOHGLIBDBOB-UHFFFAOYSA-N
Canonic Smiles
C=CCc1cc(OC)c2c(c1)OCO2
Isomeric Smiles
COc1cc(CC=C)cc2c1OCO2
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.5373788
LogD (pH = 7.4)
2.5373788
Log P
2.5373788
Molar Refractivity
52.5754
Polarizability
20.591558
Polar Surface Area
27.69
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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