Molecule

ID:86112

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₈O₃
Molecular Mass
270.32302
Exact Mass
270.12559444
Charge
0
InChI
InChI=1S/C17H18O3/c1-17(2,3)12-6-4-11(5-7-12)16(20)14-9-8-13(18)10-15(14)19/h4-10,18-19H,1-3H3
InChIKey
VVEFXKUGUXUOSZ-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(c(c1)O)C(=O)c1ccc(cc1)C(C)(C)C
Isomeric Smiles
O=C(c1c(cc(cc1)O)O)c1ccc(cc1)C(C)(C)C
Calculated Properties
JChem
Acid pKa
7.749199
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
5.018101
LogD (pH = 7.4)
4.858371
Log P
5.0205245
Molar Refractivity
79.2612
Polarizability
30.47413
Polar Surface Area
57.53
Rotatable Bonds
3
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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