(Z)-1-[4-[(4-chlorophenyl)methylsulfanyl]-3-nitrophenyl]-N-[(4-nitrophenyl)methoxy]methanimine
Formula:C21H16N3O5ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-1-[4-[(4-chlorophenyl)methylsulfanyl]-3-nitrophenyl]-N-[(4-nitrophenyl)methoxy]methanimine is a drug-like molecule.
| MolName | (Z)-1-[4-[(4-chlorophenyl)methylsulfanyl]-3-nitrophenyl]-N-[(4-nitrophenyl)methoxy]methanimine |
| MolecularFormula | C21H16N3O5ClS |
| Smiles | [O-][N+](c1ccc(CO/N=C\c(cc2)cc([N+]([O-])=O)c2SCc(cc2)ccc2Cl)cc1)=O |
| InChI | InChI=1S/C21H16ClN3O5S/c22-18-6-1-16(2-7-18)14-31-21-10-5-17(11-20(21)25(28)29)12-23-30-13-15-3-8-19(9-4-15)24(26)27/h1-12H,13-14H2 |
| InChIK | FOGLHFORBHBIKS-UHFFFAOYSA-N |
| TotalMolweight | 457.893 |
| Molweight | 457.893 |
| MonoisotopicMass | 457.049919 |
| CLogP | 4.5599 |
| CLogS | -7.727 |
| H Acceptors | 8 |
| TotalSurfaceArea | 335.31 |
| Relative PSA | 0.29775 |
| PolarSurfaceArea | 138.53 |
| Druglikeness | -4.4096 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.67742 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| AcidicOxygens | 2 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-1-[4-[(4-chlorophenyl)methylsulfanyl]-3-nitrophenyl]-N-[(4-nitrophenyl)methoxy]methanimine | 2 - (Z)-1-[4-[(4-chlorophenyl)methylsulfanyl]-3-nitrophenyl]-N-[(4-nitrophenyl)methoxy]methanimine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off