[3-[(Z)-[[2-(2-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 1,3-benzodioxole-5-carboxylate

Formula:C23H17N3O8 Mutagenic:none Tumorigenic:none Reproductive Effective:none [3-[(Z)-[[2-(2-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 1,3-benzodioxole-5-carboxylate is not a drug-like molecule.

MolName	[3-[(Z)-[[2-(2-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 1,3-benzodioxole-5-carboxylate
MolecularFormula	C23H17N3O8
Smiles	[O-][N+](c(cccc1)c1OCC(N/N=C\c1cc(OC(c(cc2)cc3c2OCO3)=O)ccc1)=O)=O
InChI	InChI=1S/C23H17N3O8/c27-22(13-31-19-7-2-1-6-18(19)26(29)30)25-24-12-15-4-3-5-17(10-15)34-23(28)16-8-9-20-21(11-16)33-14-32-20/h1-12H,13-14H2,(H,25,27)
InChIK	PBCCGDNGEDHIQB-UHFFFAOYSA-N
TotalMolweight	463.401
Molweight	463.401
MonoisotopicMass	463.101567
CLogP	3.3968
CLogS	-6.142
H Acceptors	11
H Donors	1
TotalSurfaceArea	342.19
Relative PSA	0.34913
PolarSurfaceArea	141.27
Druglikeness	-1.1079
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.58824
Fragments	1
Non HAtoms	34
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	9
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	7
AcidicOxygens	1
StereoCon

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