2-[(3-nitrophenyl)carbamoylamino]-N-[(Z)-2-phenylethylideneamino]acetamide
Formula:C17H17N5O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(3-nitrophenyl)carbamoylamino]-N-[(Z)-2-phenylethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[(3-nitrophenyl)carbamoylamino]-N-[(Z)-2-phenylethylideneamino]acetamide |
| MolecularFormula | C17H17N5O4 |
| Smiles | [O-][N+](c1cc(NC(NCC(N/N=C\Cc2ccccc2)=O)=O)ccc1)=O |
| InChI | InChI=1S/C17H17N5O4/c23-16(21-19-10-9-13-5-2-1-3-6-13)12-18-17(24)20-14-7-4-8-15(11-14)22(25)26/h1-8,10-11H,9,12H2,(H,21,23)(H2,18,20,24) |
| InChIK | ZSVXOTDLPRPBQX-UHFFFAOYSA-N |
| TotalMolweight | 355.353 |
| Molweight | 355.353 |
| MonoisotopicMass | 355.128055 |
| CLogP | 1.0448 |
| CLogS | -4.351 |
| H Acceptors | 9 |
| H Donors | 3 |
| TotalSurfaceArea | 278.85 |
| Relative PSA | 0.36719 |
| PolarSurfaceArea | 128.41 |
| Druglikeness | 0.30588 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[(3-nitrophenyl)carbamoylamino]-N-[(Z)-2-phenylethylideneamino]acetamide | 2 - 2-[(3-nitrophenyl)carbamoylamino]-N-[(Z)-2-phenylethylideneamino]acetamide
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