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

Formula:C11H9N5O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z,E)-3-(2-nitrophenyl)-N-(1,2,4-triazol-4-yl)prop-2-en-1-imine is a drug-like molecule.

MolName	(Z,E)-3-(2-nitrophenyl)-N-(1,2,4-triazol-4-yl)prop-2-en-1-imine
MolecularFormula	C11H9N5O2
Smiles	[O-][N+](c1c(/C=C/C=N\n2cnnc2)cccc1)=O
InChI	InChI=1S/C11H9N5O2/c17-16(18)11-6-2-1-4-10(11)5-3-7-14-15-8-12-13-9-15/h1-9H
InChIK	NYSKTVRREGDPSR-UHFFFAOYSA-N
TotalMolweight	243.225
Molweight	243.225
MonoisotopicMass	243.075625
CLogP	0.325
CLogS	-5.062
H Acceptors	7
TotalSurfaceArea	194.67
Relative PSA	0.36338
PolarSurfaceArea	88.89
Druglikeness	-1.6841
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.61111
Fragments	1
Non HAtoms	18
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	3
AcidicOxygens	1
StereoCon

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