(NE)-4-chloro-N-[morpholin-4-yl(phenyl)methylidene]-3-nitrobenzenesulfonamide
Molecular Formula : C17H16N3O5ClS | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(NE)-4-chloro-N-[morpholin-4-yl(phenyl)methylidene]-3-nitrobenzenesulfonamide is a drug-like molecule.
MolName : (NE)-4-chloro-N-[morpholin-4-yl(phenyl)methylidene]-3-nitrobenzenesulfonamide |
MolecularFormula : C17H16N3O5ClS |
Smiles : [O-][N+](c(cc(cc1)S(/N=C(\c2ccccc2)/N2CCOCC2)(=O)=O)c1Cl)=O |
InChI : InChI=1S/C17H16ClN3O5S/c18-15-7-6-14(12-16(15)21(22)23)27(24,25)19-17(13-4-2-1-3-5-13)20-8-10-26-11-9-20/h1-7,12H,8-11H2 |
InChIK : UBQJZYQAECHBHL-UHFFFAOYSA-N |
TotalMolweight : 409.849 |
Molweight : 409.849 |
MonoisotopicMass : 409.049919 |
CLogP : 1.9228 |
CLogS : -3.614 |
H Acceptors : 8 |
TotalSurfaceArea : 285.5 |
Relative PSA : 0.29443 |
PolarSurfaceArea : 113.17 |
Druglikeness : -5.1219 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : aromatic nitro |
Shape Index : 0.44444 |
Fragments : 1 |
Non HAtoms : 27 |
NonCHAtoms : 10 |
Electronegative Atoms : 10 |
Rotatable Bond : 3 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 7 |
Symmetricatoms : 5 |
BasicNitrogens : 1 |
AcidicOxygens : 1 |
StereoCon : |