(Z,E)-3-(furan-2-yl)-N-(1,2,4-triazol-4-yl)prop-2-en-1-imine

Formula:C9H8N4O Mutagenic:high Tumorigenic:none Reproductive Effective:none (Z,E)-3-(furan-2-yl)-N-(1,2,4-triazol-4-yl)prop-2-en-1-imine is a drug-like molecule.

MolName	(Z,E)-3-(furan-2-yl)-N-(1,2,4-triazol-4-yl)prop-2-en-1-imine
MolecularFormula	C9H8N4O
Smiles	C(/C=N\n1cnnc1)=C/c1ccco1
InChI	InChI=1S/C9H8N4O/c1(3-9-4-2-6-14-9)5-12-13-7-10-11-8-13/h1-8H
InChIK	KXTUPSKHVKCXSB-UHFFFAOYSA-N
TotalMolweight	188.19
Molweight	188.19
MonoisotopicMass	188.069811
CLogP	0.4353
CLogS	-4.284
H Acceptors	5
TotalSurfaceArea	160.69
Relative PSA	0.33873
PolarSurfaceArea	56.21
Druglikeness	3.1241
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.71429
Fragments	1
Non HAtoms	14
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	10
Symmetricatoms	2
Aromatic Nitrogens	3
StereoCon

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