2-[(Z)-[2-(4-nitroanilino)-2-oxoethylidene]amino]oxy-N,N-bis(prop-2-enyl)acetamide
Formula:C16H18N4O5
Mutagenic:none
Tumorigenic:low
Reproductive Effective:none
2-[(Z)-[2-(4-nitroanilino)-2-oxoethylidene]amino]oxy-N,N-bis(prop-2-enyl)acetamide is a drug-like molecule.
| MolName | 2-[(Z)-[2-(4-nitroanilino)-2-oxoethylidene]amino]oxy-N,N-bis(prop-2-enyl)acetamide |
| MolecularFormula | C16H18N4O5 |
| Smiles | C=CCN(CC=C)C(CO/N=C\C(Nc(cc1)ccc1[N+]([O-])=O)=O)=O |
| InChI | InChI=1S/C16H18N4O5/c1-3-9-19(10-4-2)16(22)12-25-17-11-15(21)18-13-5-7-14(8-6-13)20(23)24/h3-8,11H,1-2,9-10,12H2,(H,18,21) |
| InChIK | JBFZUFIIFVBDLI-UHFFFAOYSA-N |
| TotalMolweight | 346.342 |
| Molweight | 346.342 |
| MonoisotopicMass | 346.127721 |
| CLogP | 0.828 |
| CLogS | -2.928 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 279.31 |
| Relative PSA | 0.33303 |
| PolarSurfaceArea | 116.82 |
| Druglikeness | -2.9836 |
| Mutagenic | none |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 10 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Symmetricatoms | 5 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[(Z)-[2-(4-nitroanilino)-2-oxoethylidene]amino]oxy-N,N-bis(prop-2-enyl)acetamide | 2 - 2-[(Z)-[2-(4-nitroanilino)-2-oxoethylidene]amino]oxy-N,N-bis(prop-2-enyl)acetamide
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