N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
Formula:C16H12N7O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide |
| MolecularFormula | C16H12N7O3Cl |
| Smiles | [O-][N+](c(cc1)cc(/C=N\NC(Cn2nnc(-c3ccccc3)n2)=O)c1Cl)=O |
| InChI | InChI=1S/C16H12ClN7O3/c17-14-7-6-13(24(26)27)8-12(14)9-18-19-15(25)10-23-21-16(20-22-23)11-4-2-1-3-5-11/h1-9H,10H2,(H,19,25) |
| InChIK | ALMOJYQLPVXALE-UHFFFAOYSA-N |
| TotalMolweight | 385.77 |
| Molweight | 385.77 |
| MonoisotopicMass | 385.069015 |
| CLogP | 2.1973 |
| CLogS | -4.985 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 285.08 |
| Relative PSA | 0.37256 |
| PolarSurfaceArea | 130.88 |
| Druglikeness | -4.0863 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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