Molecule

ID:83789

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₄O₃
Molecular Mass
266.29126
Exact Mass
266.09429431
Charge
0
InChI
InChI=1S/C17H14O3/c1-13(18)20-17-10-6-5-9-15(17)16(19)12-11-14-7-3-2-4-8-14/h2-12H,1H3
InChIKey
CTSJOUULMDGHKP-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Oc1ccccc1C(=O)/C=C/c1ccccc1
Isomeric Smiles
O(c1ccccc1C(=O)/C=C/c1ccccc1)C(=O)C
Calculated Properties
JChem
Acid pKa
16.251402
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.4975863
LogD (pH = 7.4)
3.4975863
Log P
3.4975863
Molar Refractivity
78.0094
Polarizability
29.761772
Polar Surface Area
43.37
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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