[4-[(Z)-(1,3-benzodioxole-5-carbonylhydrazinylidene)methyl]phenyl] 3-nitrobenzoate

Formula:C22H15N3O7 Mutagenic:none Tumorigenic:none Reproductive Effective:none [4-[(Z)-(1,3-benzodioxole-5-carbonylhydrazinylidene)methyl]phenyl] 3-nitrobenzoate is a drug-like molecule.

MolName	[4-[(Z)-(1,3-benzodioxole-5-carbonylhydrazinylidene)methyl]phenyl] 3-nitrobenzoate
MolecularFormula	C22H15N3O7
Smiles	[O-][N+](c1cc(C(Oc2ccc(/C=N\NC(c(cc3)cc4c3OCO4)=O)cc2)=O)ccc1)=O
InChI	InChI=1S/C22H15N3O7/c26-21(15-6-9-19-20(11-15)31-13-30-19)24-23-12-14-4-7-18(8-5-14)32-22(27)16-2-1-3-17(10-16)25(28)29/h1-12H,13H2,(H,24,26)
InChIK	HMKCWLOJXIYMFU-UHFFFAOYSA-N
TotalMolweight	433.375
Molweight	433.375
MonoisotopicMass	433.091002
CLogP	3.8219
CLogS	-6.362
H Acceptors	10
H Donors	1
TotalSurfaceArea	318.43
Relative PSA	0.34378
PolarSurfaceArea	132.04
Druglikeness	-1.1198
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.625
Fragments	1
Non HAtoms	32
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	5
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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