Molecule

ID:79200

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₆O₄
Molecular Mass
284.30654
Exact Mass
284.10485899
Charge
0
InChI
InChI=1S/C17H16O4/c1-10-8-12(9-11(2)15(10)18)16(19)13-6-4-5-7-14(13)17(20)21-3/h4-9,18H,1-3H3
InChIKey
AEIZQJLRPXGVBX-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccccc1C(=O)c1cc(C)c(c(c1)C)O
Isomeric Smiles
O=C(c1cc(c(c(c1)C)O)C)c1ccccc1C(=O)OC
Calculated Properties
JChem
Acid pKa
8.549276
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.158968
LogD (pH = 7.4)
4.1297793
Log P
4.1593533
Molar Refractivity
80.7221
Polarizability
30.530764
Polar Surface Area
63.6
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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