N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-(3-nitroanilino)acetamide
Formula:C15H12N5O5Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-(3-nitroanilino)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-(3-nitroanilino)acetamide |
| MolecularFormula | C15H12N5O5Cl |
| Smiles | [O-][N+](c1cccc(NCC(N/N=C\c(cc(cc2)[N+]([O-])=O)c2Cl)=O)c1)=O |
| InChI | InChI=1S/C15H12ClN5O5/c16-14-5-4-13(21(25)26)6-10(14)8-18-19-15(22)9-17-11-2-1-3-12(7-11)20(23)24/h1-8,17H,9H2,(H,19,22) |
| InChIK | JFWRYQYCPZNMDT-UHFFFAOYSA-N |
| TotalMolweight | 377.743 |
| Molweight | 377.743 |
| MonoisotopicMass | 377.052697 |
| CLogP | 1.2563 |
| CLogS | -5.199 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 274.97 |
| Relative PSA | 0.3939 |
| PolarSurfaceArea | 145.13 |
| Druglikeness | -0.10005 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 2 |
| StereoCon |
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