Molecule

ID:65457

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂O₃
Molecular Mass
180.20048
Exact Mass
180.07864424
Charge
0
InChI
InChI=1S/C10H12O3/c1-7-4-5-8(10(11)13-3)6-9(7)12-2/h4-6H,1-3H3
InChIKey
LLEXCSBUSVRBCA-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(c(c1)OC)C
Isomeric Smiles
C(=O)(c1cc(c(cc1)C)OC)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.3324728
LogD (pH = 7.4)
2.3324728
Log P
2.3324728
Molar Refractivity
49.5877
Polarizability
19.035639
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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