N-[(Z)-1-(4-nitrophenyl)-3-[(2Z)-2-[[5-(3-nitrophenyl)furan-2-yl]methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide

Formula:C27H19N5O7 Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[(Z)-1-(4-nitrophenyl)-3-[(2Z)-2-[[5-(3-nitrophenyl)furan-2-yl]methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide is not a drug-like molecule.

MolName	N-[(Z)-1-(4-nitrophenyl)-3-[(2Z)-2-[[5-(3-nitrophenyl)furan-2-yl]methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide
MolecularFormula	C27H19N5O7
Smiles	[O-][N+](c1ccc(/C=C(/C(N/N=C\c2ccc(-c3cccc([N+]([O-])=O)c3)o2)=O)\NC(c2ccccc2)=O)cc1)=O
InChI	InChI=1S/C27H19N5O7/c33-26(19-5-2-1-3-6-19)29-24(15-18-9-11-21(12-10-18)31(35)36)27(34)30-28-17-23-13-14-25(39-23)20-7-4-8-22(16-20)32(37)38/h1-17H,(H,29,33)(H,30,34)
InChIK	MOUOSMXZGNIUPQ-UHFFFAOYSA-N
TotalMolweight	525.476
Molweight	525.476
MonoisotopicMass	525.12845
CLogP	3.914
CLogS	-7.846
H Acceptors	12
H Donors	2
TotalSurfaceArea	397.46
Relative PSA	0.34081
PolarSurfaceArea	175.34
Druglikeness	2.9878
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.51282
Fragments	1
Non HAtoms	39
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	9
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	2
Symmetricatoms	4
Amides	1
AcidicOxygens	2
StereoCon

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1 - N-[(Z)-1-(4-nitrophenyl)-3-[(2Z)-2-[[5-(3-nitrophenyl)furan-2-yl]methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide | 2 - N-[(Z)-1-(4-nitrophenyl)-3-[(2Z)-2-[[5-(3-nitrophenyl)furan-2-yl]methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide

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