N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-5-phenyl-1,2,4-triazin-3-amine

Formula:C16H13N5O Mutagenic:high Tumorigenic:none Reproductive Effective:none N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-5-phenyl-1,2,4-triazin-3-amine is a drug-like molecule.

MolName	N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-5-phenyl-1,2,4-triazin-3-amine
MolecularFormula	C16H13N5O
Smiles	C(/C=N\Nc1nncc(-c2ccccc2)n1)=C/c1ccco1
InChI	InChI=1S/C16H13N5O/c1-2-6-13(7-3-1)15-12-18-21-16(19-15)20-17-10-4-8-14-9-5-11-22-14/h1-12H,(H,19,20,21)
InChIK	FLTHRFGCZWSOHI-UHFFFAOYSA-N
TotalMolweight	291.313
Molweight	291.313
MonoisotopicMass	291.11201
CLogP	3.7755
CLogS	-3.717
H Acceptors	6
H Donors	1
TotalSurfaceArea	241.47
Relative PSA	0.28985
PolarSurfaceArea	76.2
Druglikeness	1.8725
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.68182
Fragments	1
Non HAtoms	22
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Symmetricatoms	2
Aromatic Nitrogens	3
StereoCon

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