2-[(Z)-(3-carbazol-9-ylpropanoylhydrazinylidene)methyl]-4-nitrophenolate
Formula:C22H17N4O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-(3-carbazol-9-ylpropanoylhydrazinylidene)methyl]-4-nitrophenolate is a drug-like molecule.
| MolName | 2-[(Z)-(3-carbazol-9-ylpropanoylhydrazinylidene)methyl]-4-nitrophenolate |
| MolecularFormula | C22H17N4O4 |
| Smiles | [O-]c(cc1)c(/C=N\NC(CCn2c(cccc3)c3c3c2cccc3)=O)cc1[N+]([O-])=O |
| InChI | InChI=1S/C22H18N4O4/c27-21-10-9-16(26(29)30)13-15(21)14-23-24-22(28)11-12-25-19-7-3-1-5-17(19)18-6-2-4-8-20(18)25/h1-10,13-14,27H,11-12H2,(H,24,28)/p-1 |
| InChIK | SGJAAQYBMJLEIB-UHFFFAOYSA-M |
| TotalMolweight | 401.401 |
| Molweight | 401.401 |
| MonoisotopicMass | 401.124981 |
| CLogP | 1.7944 |
| CLogS | -5.311 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 304.11 |
| Relative PSA | 0.28799 |
| PolarSurfaceArea | 115.27 |
| Druglikeness | 0.92922 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(Z)-(3-carbazol-9-ylpropanoylhydrazinylidene)methyl]-4-nitrophenolate | 2 - 2-[(Z)-(3-carbazol-9-ylpropanoylhydrazinylidene)methyl]-4-nitrophenolate
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