N-[2-[[2-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]amino]-2-oxoethyl]benzamide

Formula:C18H17N5O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[2-[[2-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]amino]-2-oxoethyl]benzamide is a drug-like molecule.

MolName	N-[2-[[2-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]amino]-2-oxoethyl]benzamide
MolecularFormula	C18H17N5O5
Smiles	[O-][N+](c1cc(/C=N\NC(CNC(CNC(c2ccccc2)=O)=O)=O)ccc1)=O
InChI	InChI=1S/C18H17N5O5/c24-16(11-20-18(26)14-6-2-1-3-7-14)19-12-17(25)22-21-10-13-5-4-8-15(9-13)23(27)28/h1-10H,11-12H2,(H,19,24)(H,20,26)(H,22,25)
InChIK	FXQCKXAFQPRZCF-UHFFFAOYSA-N
TotalMolweight	383.363
Molweight	383.363
MonoisotopicMass	383.12297
CLogP	0.4474
CLogS	-3.715
H Acceptors	10
H Donors	3
TotalSurfaceArea	296.6
Relative PSA	0.38918
PolarSurfaceArea	145.48
Druglikeness	0.34954
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.67857
Fragments	1
Non HAtoms	28
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	8
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

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1 - N-[2-[[2-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]amino]-2-oxoethyl]benzamide | 2 - N-[2-[[2-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]amino]-2-oxoethyl]benzamide

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