2-[(Z)-[(5-bromo-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]-6-nitrophenolate
Formula:C22H14N4O4Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
2-[(Z)-[(5-bromo-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]-6-nitrophenolate is a drug-like molecule.
| MolName | 2-[(Z)-[(5-bromo-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]-6-nitrophenolate |
| MolecularFormula | C22H14N4O4Br |
| Smiles | [O-]c1c(/C=N\NC(c([nH]c(cc2)c3cc2Br)c3-c2ccccc2)=O)cccc1[N+]([O-])=O |
| InChI | InChI=1S/C22H15BrN4O4/c23-15-9-10-17-16(11-15)19(13-5-2-1-3-6-13)20(25-17)22(29)26-24-12-14-7-4-8-18(21(14)28)27(30)31/h1-12,25,28H,(H,26,29)/p-1 |
| InChIK | SCNHOESNHCVNIE-UHFFFAOYSA-M |
| TotalMolweight | 478.281 |
| Molweight | 478.281 |
| MonoisotopicMass | 477.019842 |
| CLogP | 2.8341 |
| CLogS | -7.354 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 320.75 |
| Relative PSA | 0.29525 |
| PolarSurfaceArea | 126.13 |
| Druglikeness | -1.3223 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.48387 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(Z)-[(5-bromo-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]-6-nitrophenolate | 2 - 2-[(Z)-[(5-bromo-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]-6-nitrophenolate
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