[4-bromo-2-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl] 2-chlorobenzoate
Formula:C15H11N3O3BrCl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[4-bromo-2-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl] 2-chlorobenzoate is a drug-like molecule.
| MolName | [4-bromo-2-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl] 2-chlorobenzoate |
| MolecularFormula | C15H11N3O3BrCl |
| Smiles | NC(N/N=C\c(cc(cc1)Br)c1OC(c(cccc1)c1Cl)=O)=O |
| InChI | InChI=1S/C15H11BrClN3O3/c16-10-5-6-13(9(7-10)8-19-20-15(18)22)23-14(21)11-3-1-2-4-12(11)17/h1-8H,(H3,18,20,22) |
| InChIK | OBXHFGAKAQFGOQ-UHFFFAOYSA-N |
| TotalMolweight | 396.627 |
| Molweight | 396.627 |
| MonoisotopicMass | 394.96723 |
| CLogP | 3.897 |
| CLogS | -5.854 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 257.31 |
| Relative PSA | 0.28883 |
| PolarSurfaceArea | 93.78 |
| Druglikeness | 2.2037 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - [4-bromo-2-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl] 2-chlorobenzoate | 2 - [4-bromo-2-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl] 2-chlorobenzoate
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