N-[(Z)-6-bicyclo[3.2.0]hept-3-enylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline

Formula:C17H20N4O5S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-6-bicyclo[3.2.0]hept-3-enylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline is a drug-like molecule.

MolName	N-[(Z)-6-bicyclo[3.2.0]hept-3-enylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline
MolecularFormula	C17H20N4O5S
Smiles	[O-][N+](c(cc1)cc(S(N2CCOCC2)(=O)=O)c1N/N=C1\C2C=CCC2C1)=O
InChI	InChI=1S/C17H20N4O5S/c22-21(23)13-4-5-15(18-19-16-10-12-2-1-3-14(12)16)17(11-13)27(24,25)20-6-8-26-9-7-20/h1,3-5,11-12,14,18H,2,6-10H2
InChIK	CHJIWEKEUXQBFB-UHFFFAOYSA-N
TotalMolweight	392.435
Molweight	392.435
MonoisotopicMass	392.115441
CLogP	2.3408
CLogS	-2.585
H Acceptors	9
H Donors	1
TotalSurfaceArea	273.8
Relative PSA	0.34887
PolarSurfaceArea	125.2
Druglikeness	-4.8315
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.48148
Fragments	1
Non HAtoms	27
NonCHAtoms	10
Electronegative Atoms	10
StereoCenters	2
Rotatable Bond	4
Rings Closures	4
Small Rings	5
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	11
Symmetricatoms	3
Amides	1
AcidicOxygens	1
StereoCon	unknown chirality

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1 - N-[(Z)-6-bicyclo[3.2.0]hept-3-enylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline | 2 - N-[(Z)-6-bicyclo[3.2.0]hept-3-enylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline

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