Molecule

ID:84104

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₄O₄
Molecular Mass
306.31206
Exact Mass
306.08920893
Charge
0
InChI
InChI=1S/C19H14O4/c20-17-11-15-9-5-4-8-14(15)10-16(17)19(22)23-12-18(21)13-6-2-1-3-7-13/h1-11,20H,12H2
InChIKey
FFXRDUPWVUFPJU-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1)COC(=O)c1cc2ccccc2cc1O
Isomeric Smiles
O(C(=O)c1cc2ccccc2cc1O)CC(=O)c1ccccc1
Calculated Properties
JChem
Acid pKa
9.480153
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.5448112
LogD (pH = 7.4)
4.5412893
Log P
4.5448565
Molar Refractivity
86.4161
Polarizability
34.352787
Polar Surface Area
63.6
Rotatable Bonds
5
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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