5-nitro-N-[(Z)-(1-phenylpyrrol-2-yl)methylideneamino]pyridin-2-amine
Formula:C16H13N5O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-nitro-N-[(Z)-(1-phenylpyrrol-2-yl)methylideneamino]pyridin-2-amine is a drug-like molecule.
| MolName | 5-nitro-N-[(Z)-(1-phenylpyrrol-2-yl)methylideneamino]pyridin-2-amine |
| MolecularFormula | C16H13N5O2 |
| Smiles | [O-][N+](c(cc1)cnc1N/N=C\c1cccn1-c1ccccc1)=O |
| InChI | InChI=1S/C16H13N5O2/c22-21(23)15-8-9-16(17-11-15)19-18-12-14-7-4-10-20(14)13-5-2-1-3-6-13/h1-12H,(H,17,19) |
| InChIK | AQMVXDKCKLFNEC-UHFFFAOYSA-N |
| TotalMolweight | 307.312 |
| Molweight | 307.312 |
| MonoisotopicMass | 307.106925 |
| CLogP | 3.5087 |
| CLogS | -5.676 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 240.63 |
| Relative PSA | 0.29601 |
| PolarSurfaceArea | 88.03 |
| Druglikeness | -1.5467 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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