N-[(Z)-[4-[(2-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-4-nitrobenzamide
Formula:C21H14N3O4ClI2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-[(2-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-4-nitrobenzamide is not a drug-like molecule.
| MolName | N-[(Z)-[4-[(2-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-4-nitrobenzamide |
| MolecularFormula | C21H14N3O4ClI2 |
| Smiles | [O-][N+](c(cc1)ccc1C(N/N=C\c(cc1I)cc(I)c1OCc(cccc1)c1Cl)=O)=O |
| InChI | InChI=1S/C21H14ClI2N3O4/c22-17-4-2-1-3-15(17)12-31-20-18(23)9-13(10-19(20)24)11-25-26-21(28)14-5-7-16(8-6-14)27(29)30/h1-11H,12H2,(H,26,28) |
| InChIK | JVSIHXIIRWMYJQ-UHFFFAOYSA-N |
| TotalMolweight | 661.612 |
| Molweight | 661.612 |
| MonoisotopicMass | 660.87623 |
| CLogP | 5.1083 |
| CLogS | -8.29 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 362.16 |
| Relative PSA | 0.21104 |
| PolarSurfaceArea | 96.51 |
| Druglikeness | -0.60861 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64516 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-[4-[(2-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-4-nitrobenzamide | 2 - N-[(Z)-[4-[(2-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-4-nitrobenzamide
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