Molecule

ID:61896

General Information
Structure
MolImage
Molecular Formula
C₉H₉FN₄
Molecular Mass
192.1929632
Exact Mass
192.08112453
Charge
0
InChI
InChI=1S/C9H9FN4/c1-6-5-14(13-12-6)7-2-3-9(11)8(10)4-7/h2-5H,11H2,1H3
InChIKey
AVBBVLZILINETH-UHFFFAOYSA-N
Canonic Smiles
Cc1nnn(c1)c1ccc(c(c1)F)N
Isomeric Smiles
n1n(cc(n1)C)c1cc(c(cc1)N)F
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.122265
LogD (pH = 7.4)
1.1233212
Log P
1.1233346
Molar Refractivity
52.285
Polarizability
19.107546
Polar Surface Area
56.73
Rotatable Bonds
1
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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