Molecule

ID:71728

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂O₃
Molecular Mass
180.20048
Exact Mass
180.07864424
Charge
0
InChI
InChI=1S/C10H12O3/c1-7-5-4-6-8(12-2)9(7)10(11)13-3/h4-6H,1-3H3
InChIKey
SWZOXFSVZHAWQN-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1c(C)cccc1OC
Isomeric Smiles
c1(cccc(c1C(=O)OC)OC)C
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
19.038054
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
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References
Bioactivity
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