2-[5-(2-cyanophenyl)tetrazol-2-yl]-N-[(Z)-(2,4-dichloro-5-nitrophenyl)methylideneamino]acetamide
Formula:C17H10N8O3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
2-[5-(2-cyanophenyl)tetrazol-2-yl]-N-[(Z)-(2,4-dichloro-5-nitrophenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[5-(2-cyanophenyl)tetrazol-2-yl]-N-[(Z)-(2,4-dichloro-5-nitrophenyl)methylideneamino]acetamide |
| MolecularFormula | C17H10N8O3Cl2 |
| Smiles | N#Cc(cccc1)c1-c1nn(CC(N/N=C\c(c(Cl)c2)cc([N+]([O-])=O)c2Cl)=O)nn1 |
| InChI | InChI=1S/C17H10Cl2N8O3/c18-13-6-14(19)15(27(29)30)5-11(13)8-21-22-16(28)9-26-24-17(23-25-26)12-4-2-1-3-10(12)7-20/h1-6,8H,9H2,(H,22,28) |
| InChIK | FODKKIQTEAMGQT-UHFFFAOYSA-N |
| TotalMolweight | 445.225 |
| Molweight | 445.225 |
| MonoisotopicMass | 444.025291 |
| CLogP | 2.6389 |
| CLogS | -6.494 |
| H Acceptors | 11 |
| H Donors | 1 |
| TotalSurfaceArea | 322.21 |
| Relative PSA | 0.37171 |
| PolarSurfaceArea | 154.67 |
| Druglikeness | -8.3663 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| 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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1 - 2-[5-(2-cyanophenyl)tetrazol-2-yl]-N-[(Z)-(2,4-dichloro-5-nitrophenyl)methylideneamino]acetamide | 2 - 2-[5-(2-cyanophenyl)tetrazol-2-yl]-N-[(Z)-(2,4-dichloro-5-nitrophenyl)methylideneamino]acetamide
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