N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-[5-(2-cyanophenyl)tetrazol-2-yl]acetamide
Formula:C17H11N8O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-[5-(2-cyanophenyl)tetrazol-2-yl]acetamide is not a drug-like molecule.
| MolName | N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-[5-(2-cyanophenyl)tetrazol-2-yl]acetamide |
| MolecularFormula | C17H11N8O3Cl |
| Smiles | N#Cc(cccc1)c1-c1nn(CC(N/N=C\c(cc(cc2)[N+]([O-])=O)c2Cl)=O)nn1 |
| InChI | InChI=1S/C17H11ClN8O3/c18-15-6-5-13(26(28)29)7-12(15)9-20-21-16(27)10-25-23-17(22-24-25)14-4-2-1-3-11(14)8-19/h1-7,9H,10H2,(H,21,27) |
| InChIK | JPCZROFSJIXMAN-UHFFFAOYSA-N |
| TotalMolweight | 410.78 |
| Molweight | 410.78 |
| MonoisotopicMass | 410.064264 |
| CLogP | 2.0329 |
| CLogS | -5.758 |
| H Acceptors | 11 |
| H Donors | 1 |
| TotalSurfaceArea | 306.79 |
| Relative PSA | 0.3904 |
| PolarSurfaceArea | 154.67 |
| Druglikeness | -8.3663 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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