Molecule

ID:9496

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇F₆NO
Molecular Mass
271.1590992
Exact Mass
271.04318317
Charge
0
InChI
InChI=1S/C10H7F6NO/c1-5(18)17-8-3-6(9(11,12)13)2-7(4-8)10(14,15)16/h2-4H,1H3,(H,17,18)
InChIKey
XMKZELXFBZUGEY-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Isomeric Smiles
c1(cc(cc(c1)C(F)(F)F)NC(=O)C)C(F)(F)F
Calculated Properties
JChem
Acid pKa
13.870487
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.966653
LogD (pH = 7.4)
2.966653
Log P
2.966653
Molar Refractivity
52.8684
Polarizability
18.071798
Polar Surface Area
29.1
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
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Molecule Details
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References
Bioactivity
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