(5Z)-5-[(2-chlorophenyl)methylidene]-3-phenyl-1,2-dihydro-1,2,4-triazin-6-one

Formula:C16H12N3OCl Mutagenic:none Tumorigenic:high Reproductive Effective:none (5Z)-5-[(2-chlorophenyl)methylidene]-3-phenyl-1,2-dihydro-1,2,4-triazin-6-one is a drug-like molecule.

MolName	(5Z)-5-[(2-chlorophenyl)methylidene]-3-phenyl-1,2-dihydro-1,2,4-triazin-6-one
MolecularFormula	C16H12N3OCl
Smiles	O=C1NNC(c2ccccc2)=N/C1=C\c(cccc1)c1Cl
InChI	InChI=1S/C16H12ClN3O/c17-13-9-5-4-8-12(13)10-14-16(21)20-19-15(18-14)11-6-2-1-3-7-11/h1-10H,(H,18,19)(H,20,21)
InChIK	RUGSIQKFHUXLLX-UHFFFAOYSA-N
TotalMolweight	297.744
Molweight	297.744
MonoisotopicMass	297.066889
CLogP	1.7546
CLogS	-4.756
H Acceptors	4
H Donors	2
TotalSurfaceArea	223.29
Relative PSA	0.21259
PolarSurfaceArea	53.49
Druglikeness	3.314
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57143
Fragments	1
Non HAtoms	21
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Symmetricatoms	2
BasicNitrogens	1
StereoCon

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