3-nitro-N-[(E)-(3-oxo-1,3-diphenylpropylidene)amino]benzamide
Formula:C22H17N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-nitro-N-[(E)-(3-oxo-1,3-diphenylpropylidene)amino]benzamide is a drug-like molecule.
| MolName | 3-nitro-N-[(E)-(3-oxo-1,3-diphenylpropylidene)amino]benzamide |
| MolecularFormula | C22H17N3O4 |
| Smiles | [O-][N+](c1cc(C(N/N=C(\CC(c2ccccc2)=O)/c2ccccc2)=O)ccc1)=O |
| InChI | InChI=1S/C22H17N3O4/c26-21(17-10-5-2-6-11-17)15-20(16-8-3-1-4-9-16)23-24-22(27)18-12-7-13-19(14-18)25(28)29/h1-14H,15H2,(H,24,27) |
| InChIK | ZTWNHSFZVLDWNZ-UHFFFAOYSA-N |
| TotalMolweight | 387.394 |
| Molweight | 387.394 |
| MonoisotopicMass | 387.121907 |
| CLogP | 3.2259 |
| CLogS | -6.127 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 300.14 |
| Relative PSA | 0.26478 |
| PolarSurfaceArea | 104.35 |
| Druglikeness | -1.5872 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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