N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-2-(5-phenyltetrazol-2-yl)acetamide
Formula:C18H15N7O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-2-(5-phenyltetrazol-2-yl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-2-(5-phenyltetrazol-2-yl)acetamide |
| MolecularFormula | C18H15N7O3 |
| Smiles | [O-][N+](c1c(/C=C/C=N\NC(Cn2nnc(-c3ccccc3)n2)=O)cccc1)=O |
| InChI | InChI=1S/C18H15N7O3/c26-17(13-24-22-18(21-23-24)15-8-2-1-3-9-15)20-19-12-6-10-14-7-4-5-11-16(14)25(27)28/h1-12H,13H2,(H,20,26) |
| InChIK | IOQUCYGJWUKOHC-UHFFFAOYSA-N |
| TotalMolweight | 377.363 |
| Molweight | 377.363 |
| MonoisotopicMass | 377.123638 |
| CLogP | 1.6096 |
| CLogS | -4.541 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 296.16 |
| Relative PSA | 0.35862 |
| PolarSurfaceArea | 130.88 |
| Druglikeness | -4.0647 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| 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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1 - N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-2-(5-phenyltetrazol-2-yl)acetamide | 2 - N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-2-(5-phenyltetrazol-2-yl)acetamide
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