N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline

Formula:C18H18N4O7S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline is not a drug-like molecule.

MolName	N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline
MolecularFormula	C18H18N4O7S
Smiles	[O-][N+](c(cc1)cc(S(N2CCOCC2)(=O)=O)c1N/N=C/c(cc1)cc2c1OCO2)=O
InChI	InChI=1S/C18H18N4O7S/c23-22(24)14-2-3-15(18(10-14)30(25,26)21-5-7-27-8-6-21)20-19-11-13-1-4-16-17(9-13)29-12-28-16/h1-4,9-11,20H,5-8,12H2
InChIK	KETOMZCPURKWAV-UHFFFAOYSA-N
TotalMolweight	434.428
Molweight	434.428
MonoisotopicMass	434.089621
CLogP	3.0735
CLogS	-3.526
H Acceptors	11
H Donors	1
TotalSurfaceArea	303.59
Relative PSA	0.38051
PolarSurfaceArea	143.66
Druglikeness	-3.2763
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	12
Electronegative Atoms	12
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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