Molecule

ID:25737

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₆O₃
Molecular Mass
256.29644
Exact Mass
256.10994437
Charge
0
InChI
InChI=1S/C16H16O3/c1-16(2,15(17)18)19-14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,17,18)
InChIKey
JSVVPNWVEKYXKU-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(Oc1ccc(cc1)c1ccccc1)(C)C
Isomeric Smiles
C(C(=O)O)(Oc1ccc(c2ccccc2)cc1)(C)C
Calculated Properties
JChem
Acid pKa
3.937896
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.3731227
LogD (pH = 7.4)
0.7487125
Log P
3.9423134
Molar Refractivity
72.9492
Polarizability
29.842937
Polar Surface Area
46.53
Rotatable Bonds
4
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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