N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-4-morpholin-4-ylsulfonyl-2-nitroaniline
Formula:C20H18N5O5ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-4-morpholin-4-ylsulfonyl-2-nitroaniline is a drug-like molecule.
| MolName | N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-4-morpholin-4-ylsulfonyl-2-nitroaniline |
| MolecularFormula | C20H18N5O5ClS |
| Smiles | [O-][N+](c(cc(cc1)S(N2CCOCC2)(=O)=O)c1N/N=C\c1cc2ccccc2nc1Cl)=O |
| InChI | InChI=1S/C20H18ClN5O5S/c21-20-15(11-14-3-1-2-4-17(14)23-20)13-22-24-18-6-5-16(12-19(18)26(27)28)32(29,30)25-7-9-31-10-8-25/h1-6,11-13,24H,7-10H2 |
| InChIK | QJKNKDJIELKXIU-UHFFFAOYSA-N |
| TotalMolweight | 475.912 |
| Molweight | 475.912 |
| MonoisotopicMass | 475.071717 |
| CLogP | 3.9815 |
| CLogS | -4.02 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 332.11 |
| Relative PSA | 0.32065 |
| PolarSurfaceArea | 138.09 |
| Druglikeness | -4.5148 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 7 |
| Symmetricatoms | 3 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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