Molecule

ID:25666

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₈O₃
Molecular Mass
270.32302
Exact Mass
270.12559444
Charge
0
InChI
InChI=1S/C17H18O3/c1-17(2,13-6-4-3-5-7-13)14-8-10-15(11-9-14)20-12-16(18)19/h3-11H,12H2,1-2H3,(H,18,19)
InChIKey
FHCJMUZSWRNFNA-UHFFFAOYSA-N
Canonic Smiles
OC(=O)COc1ccc(cc1)C(c1ccccc1)(C)C
Isomeric Smiles
C(c1ccc(OCC(=O)O)cc1)(c1ccccc1)(C)C
Calculated Properties
JChem
Acid pKa
3.8232543
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.2926793
LogD (pH = 7.4)
0.7208695
Log P
3.972418
Molar Refractivity
87.8611
Polarizability
30.234306
Polar Surface Area
46.53
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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