N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2H-tetrazol-5-amine
Formula:C8H6N7O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2H-tetrazol-5-amine is a drug-like molecule.
| MolName | N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2H-tetrazol-5-amine |
| MolecularFormula | C8H6N7O2Cl |
| Smiles | [O-][N+](c(cc(/C=N\Nc1n[nH]nn1)cc1)c1Cl)=O |
| InChI | InChI=1S/C8H6ClN7O2/c9-6-2-1-5(3-7(6)16(17)18)4-10-11-8-12-14-15-13-8/h1-4H,(H2,11,12,13,14,15) |
| InChIK | XRRBEOSODJIQEQ-UHFFFAOYSA-N |
| TotalMolweight | 267.636 |
| Molweight | 267.636 |
| MonoisotopicMass | 267.02715 |
| CLogP | 2.5182 |
| CLogS | -3.753 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 194.18 |
| Relative PSA | 0.51648 |
| PolarSurfaceArea | 124.67 |
| Druglikeness | -6.8542 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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