2-(2-cyanophenoxy)-N-[(Z)-[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]acetamide

Formula:C18H14N4O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-(2-cyanophenoxy)-N-[(Z)-[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]acetamide is a drug-like molecule.

MolName	2-(2-cyanophenoxy)-N-[(Z)-[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]acetamide
MolecularFormula	C18H14N4O4
Smiles	N#Cc(cccc1)c1OCC(N/N=C\C=C\c(cc1)ccc1[N+]([O-])=O)=O
InChI	InChI=1S/C18H14N4O4/c19-12-15-5-1-2-6-17(15)26-13-18(23)21-20-11-3-4-14-7-9-16(10-8-14)22(24)25/h1-11H,13H2,(H,21,23)
InChIK	WOHPVVQJAAAWTK-UHFFFAOYSA-N
TotalMolweight	350.333
Molweight	350.333
MonoisotopicMass	350.101506
CLogP	1.7088
CLogS	-5.026
H Acceptors	8
H Donors	1
TotalSurfaceArea	282.63
Relative PSA	0.3184
PolarSurfaceArea	120.3
Druglikeness	-5.1167
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.69231
Fragments	1
Non HAtoms	26
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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