[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] (E)-3-(2-nitrophenyl)prop-2-enoate

Formula:C18H14N4O8 Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] (E)-3-(2-nitrophenyl)prop-2-enoate is not a drug-like molecule.

MolName	[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] (E)-3-(2-nitrophenyl)prop-2-enoate
MolecularFormula	C18H14N4O8
Smiles	[O-][N+](c(cc1)ccc1C(NNC(COC(/C=C/c(cccc1)c1[N+]([O-])=O)=O)=O)=O)=O
InChI	InChI=1S/C18H14N4O8/c23-16(19-20-18(25)13-5-8-14(9-6-13)21(26)27)11-30-17(24)10-7-12-3-1-2-4-15(12)22(28)29/h1-10H,11H2,(H,19,23)(H,20,25)
InChIK	JGRUOAMMWLWIQZ-UHFFFAOYSA-N
TotalMolweight	414.329
Molweight	414.329
MonoisotopicMass	414.081166
CLogP	-0.3385
CLogS	-4.503
H Acceptors	12
H Donors	2
TotalSurfaceArea	306.79
Relative PSA	0.43313
PolarSurfaceArea	176.14
Druglikeness	-4.2335
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.63333
Fragments	1
Non HAtoms	30
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	9
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	2
AcidicOxygens	2
StereoCon

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