Molecule

ID:79571

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂O₃
Molecular Mass
180.20048
Exact Mass
180.07864424
Charge
0
InChI
InChI=1S/C10H12O3/c1-7-4-8(12-2)5-10(13-3)9(7)6-11/h4-6H,1-3H3
InChIKey
RTRFTGJNWSOWPO-UHFFFAOYSA-N
Canonic Smiles
COc1cc(OC)cc(c1C=O)C
Isomeric Smiles
O=Cc1c(cc(cc1OC)OC)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.883827
LogD (pH = 7.4)
1.883827
Log P
1.883827
Molar Refractivity
50.6096
Polarizability
19.02983
Polar Surface Area
35.53
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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