4-nitro-N-[(Z)-[4-[2-(4-nitroanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide

Formula:C22H17N5O7 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-nitro-N-[(Z)-[4-[2-(4-nitroanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide is not a drug-like molecule.

MolName	4-nitro-N-[(Z)-[4-[2-(4-nitroanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
MolecularFormula	C22H17N5O7
Smiles	[O-][N+](c(cc1)ccc1C(N/N=C\c(cc1)ccc1OCC(Nc(cc1)ccc1[N+]([O-])=O)=O)=O)=O
InChI	InChI=1S/C22H17N5O7/c28-21(24-17-5-9-19(10-6-17)27(32)33)14-34-20-11-1-15(2-12-20)13-23-25-22(29)16-3-7-18(8-4-16)26(30)31/h1-13H,14H2,(H,24,28)(H,25,29)
InChIK	IYSMPIVPQCGIDX-UHFFFAOYSA-N
TotalMolweight	463.405
Molweight	463.405
MonoisotopicMass	463.1128
CLogP	2.0808
CLogS	-5.933
H Acceptors	12
H Donors	2
TotalSurfaceArea	347.06
Relative PSA	0.37846
PolarSurfaceArea	171.43
Druglikeness	-0.43976
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.70588
Fragments	1
Non HAtoms	34
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	9
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
Symmetricatoms	6
Amides	1
AcidicOxygens	2
StereoCon

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