4-[(6Z)-6-benzylidene-2-(2,4-dinitrophenyl)sulfanylcyclohexen-1-yl]morpholine

Formula:C23H23N3O5S Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(6Z)-6-benzylidene-2-(2,4-dinitrophenyl)sulfanylcyclohexen-1-yl]morpholine is a drug-like molecule.

MolName	4-[(6Z)-6-benzylidene-2-(2,4-dinitrophenyl)sulfanylcyclohexen-1-yl]morpholine
MolecularFormula	C23H23N3O5S
Smiles	[O-][N+](c(cc1)cc([N+]([O-])=O)c1SC(CCC/C1=C/c2ccccc2)=C1N1CCOCC1)=O
InChI	InChI=1S/C23H23N3O5S/c27-25(28)19-9-10-21(20(16-19)26(29)30)32-22-8-4-7-18(15-17-5-2-1-3-6-17)23(22)24-11-13-31-14-12-24/h1-3,5-6,9-10,15-16H,4,7-8,11-14H2
InChIK	IJNITUVBPNFODX-UHFFFAOYSA-N
TotalMolweight	453.518
Molweight	453.518
MonoisotopicMass	453.135842
CLogP	2.2901
CLogS	-5.866
H Acceptors	8
TotalSurfaceArea	335.1
Relative PSA	0.27419
PolarSurfaceArea	129.41
Druglikeness	-4.6417
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions	aromatic nitro
Shape Index	0.46875
Fragments	1
Non HAtoms	32
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	12
Symmetricatoms	4
BasicNitrogens	1
AcidicOxygens	2
StereoCon

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