[4-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 3-bromobenzoate
Formula:C21H15N2O4Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 3-bromobenzoate is not a drug-like molecule.
| MolName | [4-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 3-bromobenzoate |
| MolecularFormula | C21H15N2O4Br |
| Smiles | Oc(cccc1)c1C(N/N=C\c(cc1)ccc1OC(c1cccc(Br)c1)=O)=O |
| InChI | InChI=1S/C21H15BrN2O4/c22-16-5-3-4-15(12-16)21(27)28-17-10-8-14(9-11-17)13-23-24-20(26)18-6-1-2-7-19(18)25/h1-13,25H,(H,24,26) |
| InChIK | YXKLDRBUUCPVKH-UHFFFAOYSA-N |
| TotalMolweight | 439.264 |
| Molweight | 439.264 |
| MonoisotopicMass | 438.021519 |
| CLogP | 5.0116 |
| CLogS | -5.729 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 299.48 |
| Relative PSA | 0.24092 |
| PolarSurfaceArea | 87.99 |
| Druglikeness | 2.2078 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - [4-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 3-bromobenzoate | 2 - [4-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 3-bromobenzoate
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