Molecule

ID:75369

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂O₃
Molecular Mass
180.20048
Exact Mass
180.07864424
Charge
0
InChI
InChI=1S/C10H12O3/c1-7(11)8-4-9(12-2)6-10(5-8)13-3/h4-6H,1-3H3
InChIKey
YJKHOUIVWKQRSL-UHFFFAOYSA-N
Canonic Smiles
COc1cc(OC)cc(c1)C(=O)C
Isomeric Smiles
O=C(c1cc(cc(c1)OC)OC)C
Calculated Properties
JChem
Acid pKa
15.812179
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.2155508
LogD (pH = 7.4)
1.2155508
Log P
1.2155508
Molar Refractivity
49.3872
Polarizability
19.102339
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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