Molecule

ID:95758

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀ClF₃N₂O₄
Molecular Mass
374.6991096
Exact Mass
374.02811915
Charge
0
InChI
InChI=1S/C15H10ClF3N2O4/c1-21-14(16)9(13(20-21)15(17,18)19)3-5-12(22)25-8-2-4-10-11(6-8)24-7-23-10/h2-6H,7H2,1H3
InChIKey
ICPNGKRMYPIMEL-UHFFFAOYSA-N
Canonic Smiles
O=C(Oc1ccc2c(c1)OCO2)/C=C/c1c(Cl)n(nc1C(F)(F)F)C
Isomeric Smiles
n1c(c(c(n1C)Cl)/C=C/C(=O)Oc1cc2c(cc1)OCO2)C(F)(F)F
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.8071196
LogD (pH = 7.4)
3.8071198
Log P
3.8071198
Molar Refractivity
92.6845
Polarizability
30.408316
Polar Surface Area
62.58
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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