Molecule

ID:17581

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇F₂NO
Molecular Mass
207.1761864
Exact Mass
207.04957029
Charge
0
InChI
InChI=1S/C11H7F2NO/c12-8-3-4-11(10(13)6-8)14-5-1-2-9(14)7-15/h1-7H
InChIKey
BPFNJDGVQOLORV-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccn1c1ccc(cc1F)F
Isomeric Smiles
n1(c2c(cc(cc2)F)F)c(ccc1)C=O
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.2805
LogD (pH = 7.4)
2.2805
Log P
2.2805
Molar Refractivity
62.7047
Polarizability
19.573444
Polar Surface Area
22.0
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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