Molecule
ID:27599
General Information
Molecular Formula
C₇H₂F₃NO
Molecular Mass
173.0920896
Exact Mass
173.00884835
Charge
0
InChI
InChI=1S/C7H2F3NO/c8-5-1-4(11-3-12)2-6(9)7(5)10/h1-2H
InChIKey
PISHPAJOGZXLCG-UHFFFAOYSA-N
Canonic Smiles
O=C=Nc1cc(F)c(c(c1)F)F
Isomeric Smiles
c1(c(cc(cc1F)N=C=O)F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.3109074
LogD (pH = 7.4)
2.3109074
Log P
2.3109074
Molar Refractivity
35.7792
Polarizability
12.114295
Polar Surface Area
29.43
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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