4-[2-[(Z)-[(5-nitropyridin-2-yl)hydrazinylidene]methyl]pyrrol-1-yl]phenol
Formula:C16H13N5O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[2-[(Z)-[(5-nitropyridin-2-yl)hydrazinylidene]methyl]pyrrol-1-yl]phenol is a drug-like molecule.
| MolName | 4-[2-[(Z)-[(5-nitropyridin-2-yl)hydrazinylidene]methyl]pyrrol-1-yl]phenol |
| MolecularFormula | C16H13N5O3 |
| Smiles | [O-][N+](c(cc1)cnc1N/N=C\c1cccn1-c(cc1)ccc1O)=O |
| InChI | InChI=1S/C16H13N5O3/c22-15-6-3-12(4-7-15)20-9-1-2-13(20)11-18-19-16-8-5-14(10-17-16)21(23)24/h1-11,22H,(H,17,19) |
| InChIK | CWVBWYGBTIUSAR-UHFFFAOYSA-N |
| TotalMolweight | 323.311 |
| Molweight | 323.311 |
| MonoisotopicMass | 323.10184 |
| CLogP | 3.163 |
| CLogS | -5.38 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 246.98 |
| Relative PSA | 0.34144 |
| PolarSurfaceArea | 108.26 |
| Druglikeness | -1.5621 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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