Molecule

ID:42931

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇F₃N₂OS
Molecular Mass
260.2355896
Exact Mass
260.02311851
Charge
0
InChI
InChI=1S/C10H7F3N2OS/c11-10(12,13)6-2-1-5-3-8(9(16)15-14)17-7(5)4-6/h1-4H,14H2,(H,15,16)
InChIKey
UACNNQTXWMOXIK-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1cc2c(s1)cc(cc2)C(F)(F)F
Isomeric Smiles
c1(sc2c(c1)ccc(C(F)(F)F)c2)C(=O)NN
Calculated Properties
JChem
Acid pKa
13.83529
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.4131403
LogD (pH = 7.4)
2.4137156
Log P
2.4137232
Molar Refractivity
58.7184
Polarizability
21.940832
Polar Surface Area
55.12
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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