[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate

Formula:C19H15N3O8 Mutagenic:none Tumorigenic:none Reproductive Effective:high [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate is not a drug-like molecule.

MolName	[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate
MolecularFormula	C19H15N3O8
Smiles	[O-][N+](c(cc1)ccc1C(NNC(COC(/C=C/c(cc1)cc2c1OCO2)=O)=O)=O)=O
InChI	InChI=1S/C19H15N3O8/c23-17(20-21-19(25)13-3-5-14(6-4-13)22(26)27)10-28-18(24)8-2-12-1-7-15-16(9-12)30-11-29-15/h1-9H,10-11H2,(H,20,23)(H,21,25)
InChIK	AXNOACMILVTREA-UHFFFAOYSA-N
TotalMolweight	413.341
Molweight	413.341
MonoisotopicMass	413.085917
CLogP	0.6945
CLogS	-4.754
H Acceptors	11
H Donors	2
TotalSurfaceArea	303.38
Relative PSA	0.40365
PolarSurfaceArea	148.78
Druglikeness	-4.2363
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.66667
Fragments	1
Non HAtoms	30
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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