Molecule

ID:95340

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁F₂NO
Molecular Mass
199.1972464
Exact Mass
199.08087042
Charge
0
InChI
InChI=1S/C10H11F2NO/c1-3-14-13-7(2)8-4-5-9(11)10(12)6-8/h4-6H,3H2,1-2H3
InChIKey
RSRSXQRNRHQKNV-UHFFFAOYSA-N
Canonic Smiles
CCO/N=C(/c1ccc(c(c1)F)F)\C
Isomeric Smiles
N(=C(\c1ccc(c(c1)F)F)/C)/OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.5604072
LogD (pH = 7.4)
2.560544
Log P
2.5605457
Molar Refractivity
49.9462
Polarizability
18.50455
Polar Surface Area
21.59
Rotatable Bonds
3
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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