N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-2-(2-nitrophenoxy)acetamide

Formula:C19H13N4O7Cl Mutagenic:high Tumorigenic:high Reproductive Effective:low N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-2-(2-nitrophenoxy)acetamide is not a drug-like molecule.

MolName	N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-2-(2-nitrophenoxy)acetamide
MolecularFormula	C19H13N4O7Cl
Smiles	[O-][N+](c(cc1)cc(-c2ccc(/C=N\NC(COc(cccc3)c3[N+]([O-])=O)=O)o2)c1Cl)=O
InChI	InChI=1S/C19H13ClN4O7/c20-15-7-5-12(23(26)27)9-14(15)17-8-6-13(31-17)10-21-22-19(25)11-30-18-4-2-1-3-16(18)24(28)29/h1-10H,11H2,(H,22,25)
InChIK	OBMOCQIAYPLDAW-UHFFFAOYSA-N
TotalMolweight	444.786
Molweight	444.786
MonoisotopicMass	444.047278
CLogP	2.4782
CLogS	-6.617
H Acceptors	11
H Donors	1
TotalSurfaceArea	322.96
Relative PSA	0.37454
PolarSurfaceArea	155.47
Druglikeness	1.3799
Mutagenic	high
Tumorigenic	high
Reproductive Effective	low
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.58065
Fragments	1
Non HAtoms	31
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	4
AcidicOxygens	2
StereoCon

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