N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline
Formula:C17H16N4O5Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline is a drug-like molecule.
| MolName | N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline |
| MolecularFormula | C17H16N4O5Cl2S |
| Smiles | [O-][N+](c(cc1)cc(S(N2CCOCC2)(=O)=O)c1N/N=C\c(cc1)cc(Cl)c1Cl)=O |
| InChI | InChI=1S/C17H16Cl2N4O5S/c18-14-3-1-12(9-15(14)19)11-20-21-16-4-2-13(23(24)25)10-17(16)29(26,27)22-5-7-28-8-6-22/h1-4,9-11,21H,5-8H2 |
| InChIK | SAQWRBXSWBAGJK-UHFFFAOYSA-N |
| TotalMolweight | 459.309 |
| Molweight | 459.309 |
| MonoisotopicMass | 458.021845 |
| CLogP | 4.1741 |
| CLogS | -4.287 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 314.17 |
| Relative PSA | 0.30404 |
| PolarSurfaceArea | 125.2 |
| Druglikeness | -3.1255 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline | 2 - N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline
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