4-nitro-N'-[4-[2-(4-nitrobenzoyl)hydrazinyl]cyclohexa-1,3-dien-1-yl]benzohydrazide

Formula:C20H18N6O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-nitro-N'-[4-[2-(4-nitrobenzoyl)hydrazinyl]cyclohexa-1,3-dien-1-yl]benzohydrazide is not a drug-like molecule.

MolName	4-nitro-N'-[4-[2-(4-nitrobenzoyl)hydrazinyl]cyclohexa-1,3-dien-1-yl]benzohydrazide
MolecularFormula	C20H18N6O6
Smiles	[O-][N+](c(cc1)ccc1C(NNC(CC1)=CC=C1NNC(c(cc1)ccc1[N+]([O-])=O)=O)=O)=O
InChI	InChI=1S/C20H18N6O6/c27-19(13-1-9-17(10-2-13)25(29)30)23-21-15-5-7-16(8-6-15)22-24-20(28)14-3-11-18(12-4-14)26(31)32/h1-5,7,9-12,21-22H,6,8H2,(H,23,27)(H,24,28)
InChIK	XXNSBZINXAIRHH-UHFFFAOYSA-N
TotalMolweight	438.399
Molweight	438.399
MonoisotopicMass	438.128784
CLogP	-0.3958
CLogS	-5.838
H Acceptors	12
H Donors	4
TotalSurfaceArea	325.14
Relative PSA	0.40832
PolarSurfaceArea	173.9
Druglikeness	-3.6632
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.6875
Fragments	1
Non HAtoms	32
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	18
AcidicOxygens	2
StereoCon

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