N-[(Z)-(3-bromo-4-phenylmethoxyphenyl)methylideneamino]-2-hydroxy-5-nitrobenzamide
Formula:C21H16N3O5Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-bromo-4-phenylmethoxyphenyl)methylideneamino]-2-hydroxy-5-nitrobenzamide is a drug-like molecule.
| MolName | N-[(Z)-(3-bromo-4-phenylmethoxyphenyl)methylideneamino]-2-hydroxy-5-nitrobenzamide |
| MolecularFormula | C21H16N3O5Br |
| Smiles | [O-][N+](c(cc1)cc(C(N/N=C\c(cc2)cc(Br)c2OCc2ccccc2)=O)c1O)=O |
| InChI | InChI=1S/C21H16BrN3O5/c22-18-10-15(6-9-20(18)30-13-14-4-2-1-3-5-14)12-23-24-21(27)17-11-16(25(28)29)7-8-19(17)26/h1-12,26H,13H2,(H,24,27) |
| InChIK | AVGACIQJYWUWKY-UHFFFAOYSA-N |
| TotalMolweight | 470.278 |
| Molweight | 470.278 |
| MonoisotopicMass | 469.027333 |
| CLogP | 4.0076 |
| CLogS | -6.06 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 319.16 |
| Relative PSA | 0.28052 |
| PolarSurfaceArea | 116.74 |
| Druglikeness | -2.9076 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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