N-[(Z)-[2-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide

Formula:C18H16N6O4 Mutagenic:none Tumorigenic:none Reproductive Effective:low N-[(Z)-[2-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide is a drug-like molecule.

MolName	N-[(Z)-[2-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide
MolecularFormula	C18H16N6O4
Smiles	[O-][N+](c1ccc(COc2c(/C=N\NC(Cn3ncnc3)=O)cccc2)cc1)=O
InChI	InChI=1S/C18H16N6O4/c25-18(10-23-13-19-12-21-23)22-20-9-15-3-1-2-4-17(15)28-11-14-5-7-16(8-6-14)24(26)27/h1-9,12-13H,10-11H2,(H,22,25)
InChIK	BHTZGFYFEDTTNT-UHFFFAOYSA-N
TotalMolweight	380.363
Molweight	380.363
MonoisotopicMass	380.123304
CLogP	1.0613
CLogS	-4.133
H Acceptors	10
H Donors	1
TotalSurfaceArea	294.66
Relative PSA	0.35716
PolarSurfaceArea	127.22
Druglikeness	0.98304
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.64286
Fragments	1
Non HAtoms	28
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	4
Symmetricatoms	2
Aromatic Nitrogens	3
AcidicOxygens	1
StereoCon

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