[4-bromo-2-[(Z)-[(4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
Formula:C28H20N2O4BrCl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[4-bromo-2-[(Z)-[(4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate is not a drug-like molecule.
| MolName | [4-bromo-2-[(Z)-[(4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate |
| MolecularFormula | C28H20N2O4BrCl |
| Smiles | O=C(c(cc1)ccc1OCc1ccccc1)N/N=C\c(cc(cc1)Br)c1OC(c(cccc1)c1Cl)=O |
| InChI | InChI=1S/C28H20BrClN2O4/c29-22-12-15-26(36-28(34)24-8-4-5-9-25(24)30)21(16-22)17-31-32-27(33)20-10-13-23(14-11-20)35-18-19-6-2-1-3-7-19/h1-17H,18H2,(H,32,33) |
| InChIK | URRLEIXZIIWFFI-UHFFFAOYSA-N |
| TotalMolweight | 563.834 |
| Molweight | 563.834 |
| MonoisotopicMass | 562.029496 |
| CLogP | 7.3114 |
| CLogS | -8.102 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 392.07 |
| Relative PSA | 0.17612 |
| PolarSurfaceArea | 76.99 |
| Druglikeness | 2.0481 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
Click to Load Molecule:
1 - [4-bromo-2-[(Z)-[(4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate | 2 - [4-bromo-2-[(Z)-[(4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off