2-bromo-6-[(Z)-[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]-4-nitrophenolate
Formula:C19H13N3O4Br
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
2-bromo-6-[(Z)-[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]-4-nitrophenolate is a drug-like molecule.
| MolName | 2-bromo-6-[(Z)-[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]-4-nitrophenolate |
| MolecularFormula | C19H13N3O4Br |
| Smiles | [O-]c(c(/C=N\NC(Cc1cccc2ccccc12)=O)cc([N+]([O-])=O)c1)c1Br |
| InChI | InChI=1S/C19H14BrN3O4/c20-17-10-15(23(26)27)8-14(19(17)25)11-21-22-18(24)9-13-6-3-5-12-4-1-2-7-16(12)13/h1-8,10-11,25H,9H2,(H,22,24)/p-1 |
| InChIK | GMCPZSWVXBBTEQ-UHFFFAOYSA-M |
| TotalMolweight | 427.233 |
| Molweight | 427.233 |
| MonoisotopicMass | 426.008943 |
| CLogP | 2.274 |
| CLogS | -6.29 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 285.18 |
| Relative PSA | 0.28301 |
| PolarSurfaceArea | 110.34 |
| Druglikeness | -2.5959 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-bromo-6-[(Z)-[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]-4-nitrophenolate | 2 - 2-bromo-6-[(Z)-[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]-4-nitrophenolate
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