5-[(E)-2-(4-fluorophenyl)ethenyl]-6-nitro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

Formula:C13H8N5O3F Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-[(E)-2-(4-fluorophenyl)ethenyl]-6-nitro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is a drug-like molecule.

MolName	5-[(E)-2-(4-fluorophenyl)ethenyl]-6-nitro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
MolecularFormula	C13H8N5O3F
Smiles	[O-][N+](C1=C(/C=C/c(cc2)ccc2F)N=C2N=CNN2C1=O)=O
InChI	InChI=1S/C13H8FN5O3/c14-9-4-1-8(2-5-9)3-6-10-11(19(21)22)12(20)18-13(17-10)15-7-16-18/h1-7H,(H,15,16,17)
InChIK	XCBNTLMMKOQGAQ-UHFFFAOYSA-N
TotalMolweight	301.237
Molweight	301.237
MonoisotopicMass	301.061118
CLogP	-1.0755
CLogS	-4.376
H Acceptors	8
H Donors	1
TotalSurfaceArea	212.94
Relative PSA	0.38269
PolarSurfaceArea	102.88
Druglikeness	-2.6428
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.54545
Fragments	1
Non HAtoms	22
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	1
Symmetricatoms	2
BasicNitrogens	2
AcidicOxygens	1
StereoCon

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