(2E)-2-(2,3,3-trichloro-1-nitroprop-2-enylidene)-1,3-thiazinane

Formula:C7H7N2O2Cl3S Mutagenic:high Tumorigenic:low Reproductive Effective:high (2E)-2-(2,3,3-trichloro-1-nitroprop-2-enylidene)-1,3-thiazinane is a drug-like molecule.

MolName	(2E)-2-(2,3,3-trichloro-1-nitroprop-2-enylidene)-1,3-thiazinane
MolecularFormula	C7H7N2O2Cl3S
Smiles	[O-][N+](/C(/C(Cl)=C(Cl)Cl)=C1/SCCCN1)=O
InChI	InChI=1S/C7H7Cl3N2O2S/c8-4(6(9)10)5(12(13)14)7-11-2-1-3-15-7/h11H,1-3H2
InChIK	KJKXKJYXJDKUDT-UHFFFAOYSA-N
TotalMolweight	289.57
Molweight	289.57
MonoisotopicMass	287.929379
CLogP	2.8911
CLogS	-4.34
H Acceptors	4
H Donors	1
TotalSurfaceArea	186
Relative PSA	0.31919
PolarSurfaceArea	83.15
Druglikeness	-3.9829
Mutagenic	high
Tumorigenic	low
Reproductive Effective	high
Irritant	high
Nasty Functions	allyl/benzyl chloride; 1,1-dihalo-alkene; 1,2-dihalo-alkene
Shape Index	0.53333
Fragments	1
Non HAtoms	15
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	2
Rings Closures	1
Small Rings	1
Sp3Atoms	5
Symmetricatoms	1
AcidicOxygens	1
StereoCon

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