Molecule

ID:95986

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₂F₂O₃
Molecular Mass
314.2828864
Exact Mass
314.07545068
Charge
0
InChI
InChI=1S/C18H12F2O3/c19-15-5-1-13(2-6-15)17(21)9-11-23-12-10-18(22)14-3-7-16(20)8-4-14/h1-12H
InChIKey
CATOHGSJDSHEKL-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc(cc1)F)/C=C/O/C=C/C(=O)c1ccc(cc1)F
Isomeric Smiles
O=C(c1ccc(cc1)F)/C=C/O/C=C/C(=O)c1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
15.86698
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.780057
LogD (pH = 7.4)
3.780057
Log P
3.780057
Molar Refractivity
83.0951
Polarizability
30.643248
Polar Surface Area
43.37
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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