N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4-nitro-2-piperidin-1-ylsulfonylaniline

Formula:C19H20N4O6S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4-nitro-2-piperidin-1-ylsulfonylaniline is a drug-like molecule.

MolName	N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4-nitro-2-piperidin-1-ylsulfonylaniline
MolecularFormula	C19H20N4O6S
Smiles	[O-][N+](c(cc1)cc(S(N2CCCCC2)(=O)=O)c1N/N=C/c(cc1)cc2c1OCO2)=O
InChI	InChI=1S/C19H20N4O6S/c24-23(25)15-5-6-16(19(11-15)30(26,27)22-8-2-1-3-9-22)21-20-12-14-4-7-17-18(10-14)29-13-28-17/h4-7,10-12,21H,1-3,8-9,13H2
InChIK	BTEQHQSMSJUUES-UHFFFAOYSA-N
TotalMolweight	432.456
Molweight	432.456
MonoisotopicMass	432.110356
CLogP	4.2375
CLogS	-4.415
H Acceptors	10
H Donors	1
TotalSurfaceArea	307.35
Relative PSA	0.34332
PolarSurfaceArea	134.43
Druglikeness	-4.4093
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.5
Fragments	1
Non HAtoms	30
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	10
Symmetricatoms	3
Amides	1
AcidicOxygens	1
StereoCon

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