6-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione

Formula:C10H8N5O2F Mutagenic:none Tumorigenic:none Reproductive Effective:none 6-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione is a drug-like molecule.

MolName6-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione
MolecularFormulaC10H8N5O2F
SmilesO=C(C(N/N=C\c(cc1)ccc1F)=NN1)NC1=O
InChIInChI=1S/C10H8FN5O2/c11-7-3-1-6(2-4-7)5-12-14-8-9(17)13-10(18)16-15-8/h1-5H,(H,14,15)(H2,13,16,17,18)
InChIKUHPYFMANGCEENB-UHFFFAOYSA-N
TotalMolweight249.205
Molweight249.205
MonoisotopicMass249.066203
CLogP0.3617
CLogS-3.483
H Acceptors7
H Donors3
TotalSurfaceArea183.72
Relative PSA0.45439
PolarSurfaceArea94.95
Druglikeness4.2734
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.72222
Fragments1
Non HAtoms18
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond2
Rings Closures2
Small Rings2
Aromatic Rings1
Aromatic Atoms6
Symmetricatoms2
Amides1
StereoCon

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