Molecule

ID:6627

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇F₃N₂
Molecular Mass
212.1711896
Exact Mass
212.05613289
Charge
0
InChI
InChI=1S/C10H7F3N2/c11-10(12,13)7-3-1-2-6-8(14)4-5-15-9(6)7/h1-5H,(H2,14,15)
InChIKey
JTMLOHYYNHRKTF-UHFFFAOYSA-N
Canonic Smiles
Nc1ccnc2c1cccc2C(F)(F)F
Isomeric Smiles
c1nc2c(c(c1)N)cccc2C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.1159364
LogD (pH = 7.4)
2.0774894
Log P
2.179823
Molar Refractivity
50.6534
Polarizability
19.083263
Polar Surface Area
38.91
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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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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