N-[(Z)-(3-nitrophenyl)methylideneamino]-N'-phenylquinoline-2-carboximidamide
Formula:C23H17N5O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-nitrophenyl)methylideneamino]-N'-phenylquinoline-2-carboximidamide is a drug-like molecule.
| MolName | N-[(Z)-(3-nitrophenyl)methylideneamino]-N'-phenylquinoline-2-carboximidamide |
| MolecularFormula | C23H17N5O2 |
| Smiles | [O-][N+](c1cc(/C=N\N/C(/c2nc3ccccc3cc2)=N\c2ccccc2)ccc1)=O |
| InChI | InChI=1S/C23H17N5O2/c29-28(30)20-11-6-7-17(15-20)16-24-27-23(25-19-9-2-1-3-10-19)22-14-13-18-8-4-5-12-21(18)26-22/h1-16H,(H,25,27) |
| InChIK | LIOITWOVXAFXRD-UHFFFAOYSA-N |
| TotalMolweight | 395.421 |
| Molweight | 395.421 |
| MonoisotopicMass | 395.138225 |
| CLogP | 4.0905 |
| CLogS | -6.129 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 309 |
| Relative PSA | 0.24553 |
| PolarSurfaceArea | 95.46 |
| Druglikeness | -2.7875 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-(3-nitrophenyl)methylideneamino]-N'-phenylquinoline-2-carboximidamide | 2 - N-[(Z)-(3-nitrophenyl)methylideneamino]-N'-phenylquinoline-2-carboximidamide
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