Molecule

ID:41087

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₁F₂NO₂
Molecular Mass
287.2608464
Exact Mass
287.07578504
Charge
0
InChI
InChI=1S/C16H11F2NO2/c1-19-14-5-3-2-4-11(14)12(9-20)16(19)21-15-7-6-10(17)8-13(15)18/h2-9H,1H3
InChIKey
RGESBTLCWJTUDK-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(Oc2ccc(cc2F)F)n(c2c1cccc2)C
Isomeric Smiles
c1(c(c2c(n1C)cccc2)C=O)Oc1c(cc(cc1)F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.8831682
LogD (pH = 7.4)
3.8831682
Log P
3.8831682
Molar Refractivity
74.5521
Polarizability
28.84481
Polar Surface Area
31.23
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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