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

Formula:C11H8N5O2Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (E,Z)-2-chloro-3-(4-nitrophenyl)-N-(1,2,4-triazol-4-yl)prop-2-en-1-imine is a drug-like molecule.

MolName	(E,Z)-2-chloro-3-(4-nitrophenyl)-N-(1,2,4-triazol-4-yl)prop-2-en-1-imine
MolecularFormula	C11H8N5O2Cl
Smiles	[O-][N+](c1ccc(/C=C(/C=N/n2cnnc2)\Cl)cc1)=O
InChI	InChI=1S/C11H8ClN5O2/c12-10(6-15-16-7-13-14-8-16)5-9-1-3-11(4-2-9)17(18)19/h1-8H
InChIK	GFYJXFISAJVUMU-UHFFFAOYSA-N
TotalMolweight	277.671
Molweight	277.671
MonoisotopicMass	277.036652
CLogP	0.7866
CLogS	-5.753
H Acceptors	7
TotalSurfaceArea	208.3
Relative PSA	0.33961
PolarSurfaceArea	88.89
Druglikeness	-1.4432
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.68421
Fragments	1
Non HAtoms	19
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
Symmetricatoms	4
Aromatic Nitrogens	3
AcidicOxygens	1
StereoCon

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