N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-2-(4-nitrophenyl)acetamide
Formula:C17H16N4O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-2-(4-nitrophenyl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-2-(4-nitrophenyl)acetamide |
| MolecularFormula | C17H16N4O5 |
| Smiles | NC(COc1ccc(/C=N\NC(Cc(cc2)ccc2[N+]([O-])=O)=O)cc1)=O |
| InChI | InChI=1S/C17H16N4O5/c18-16(22)11-26-15-7-3-13(4-8-15)10-19-20-17(23)9-12-1-5-14(6-2-12)21(24)25/h1-8,10H,9,11H2,(H2,18,22)(H,20,23) |
| InChIK | JZOLAYFMYPUEGR-UHFFFAOYSA-N |
| TotalMolweight | 356.337 |
| Molweight | 356.337 |
| MonoisotopicMass | 356.112071 |
| CLogP | 0.9403 |
| CLogS | -4.015 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 274.45 |
| Relative PSA | 0.38164 |
| PolarSurfaceArea | 139.6 |
| Druglikeness | -0.5112 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.73077 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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