2-[(Z)-carbazol-9-yliminomethyl]-4-nitrophenolate
Formula:C19H12N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-carbazol-9-yliminomethyl]-4-nitrophenolate is a drug-like molecule.
| MolName | 2-[(Z)-carbazol-9-yliminomethyl]-4-nitrophenolate |
| MolecularFormula | C19H12N3O3 |
| Smiles | [O-]c(cc1)c(/C=N\n2c(cccc3)c3c3c2cccc3)cc1[N+]([O-])=O |
| InChI | InChI=1S/C19H13N3O3/c23-19-10-9-14(22(24)25)11-13(19)12-20-21-17-7-3-1-5-15(17)16-6-2-4-8-18(16)21/h1-12,23H/p-1 |
| InChIK | FWIZHUHKGLSDNO-UHFFFAOYSA-M |
| TotalMolweight | 330.322 |
| Molweight | 330.322 |
| MonoisotopicMass | 330.087867 |
| CLogP | 1.9694 |
| CLogS | -7.55 |
| H Acceptors | 6 |
| TotalSurfaceArea | 247.38 |
| Relative PSA | 0.25499 |
| PolarSurfaceArea | 86.17 |
| Druglikeness | -2.19 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.48 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[(Z)-carbazol-9-yliminomethyl]-4-nitrophenolate | 2 - 2-[(Z)-carbazol-9-yliminomethyl]-4-nitrophenolate
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