(5E)-5-(furan-2-ylmethylidene)-3-phenyl-1,2-dihydro-1,2,4-triazin-6-one

Formula:C14H11N3O2 Mutagenic:high Tumorigenic:none Reproductive Effective:none (5E)-5-(furan-2-ylmethylidene)-3-phenyl-1,2-dihydro-1,2,4-triazin-6-one is a drug-like molecule.

MolName	(5E)-5-(furan-2-ylmethylidene)-3-phenyl-1,2-dihydro-1,2,4-triazin-6-one
MolecularFormula	C14H11N3O2
Smiles	O=C1NNC(c2ccccc2)=N/C1=C/c1ccco1
InChI	InChI=1S/C14H11N3O2/c18-14-12(9-11-7-4-8-19-11)15-13(16-17-14)10-5-2-1-3-6-10/h1-9H,(H,15,16)(H,17,18)
InChIK	PPTRSIGIWWCUQL-UHFFFAOYSA-N
TotalMolweight	253.26
Molweight	253.26
MonoisotopicMass	253.085127
CLogP	0.3373
CLogS	-3.702
H Acceptors	5
H Donors	2
TotalSurfaceArea	197.56
Relative PSA	0.3117
PolarSurfaceArea	66.63
Druglikeness	2.9332
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57895
Fragments	1
Non HAtoms	19
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Symmetricatoms	2
BasicNitrogens	1
StereoCon

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