Molecule
ID:83443
General Information
Molecular Formula
C₁₀H₁₂O₃
Molecular Mass
180.20048
Exact Mass
180.07864424
Charge
0
InChI
InChI=1S/C10H12O3/c1-8(10(11)12-2)13-9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKey
KIBRBMKSBVQDMK-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(Oc1ccccc1)C
Isomeric Smiles
O(c1ccccc1)C(C(=O)OC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.0082161
LogD (pH = 7.4)
2.0082161
Log P
2.0082161
Molar Refractivity
47.8688
Polarizability
19.139076
Polar Surface Area
35.53
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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