N-[3-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide
Formula:C17H16N4O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[3-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide is a drug-like molecule.
| MolName | N-[3-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide |
| MolecularFormula | C17H16N4O4 |
| Smiles | [O-][N+](c1cc(/C=N\NC(CCNC(c2ccccc2)=O)=O)ccc1)=O |
| InChI | InChI=1S/C17H16N4O4/c22-16(9-10-18-17(23)14-6-2-1-3-7-14)20-19-12-13-5-4-8-15(11-13)21(24)25/h1-8,11-12H,9-10H2,(H,18,23)(H,20,22) |
| InChIK | BDIZOMFVAPKARZ-UHFFFAOYSA-N |
| TotalMolweight | 340.338 |
| Molweight | 340.338 |
| MonoisotopicMass | 340.117156 |
| CLogP | 1.8181 |
| CLogS | -4.218 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 267.39 |
| Relative PSA | 0.34007 |
| PolarSurfaceArea | 116.38 |
| Druglikeness | 0.18491 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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