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