[4-[(Z)-[[4-(benzenesulfonamido)benzoyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
Formula:C27H20N3O5ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[[4-(benzenesulfonamido)benzoyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate is not a drug-like molecule.
| MolName | [4-[(Z)-[[4-(benzenesulfonamido)benzoyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate |
| MolecularFormula | C27H20N3O5ClS |
| Smiles | O=C(c(cc1)ccc1NS(c1ccccc1)(=O)=O)N/N=C\c(cc1)ccc1OC(c(cccc1)c1Cl)=O |
| InChI | InChI=1S/C27H20ClN3O5S/c28-25-9-5-4-8-24(25)27(33)36-22-16-10-19(11-17-22)18-29-30-26(32)20-12-14-21(15-13-20)31-37(34,35)23-6-2-1-3-7-23/h1-18,31H,(H,30,32) |
| InChIK | GNTBRNKEFNNZEF-UHFFFAOYSA-N |
| TotalMolweight | 533.991 |
| Molweight | 533.991 |
| MonoisotopicMass | 533.081219 |
| CLogP | 5.5372 |
| CLogS | -7.26 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 389.72 |
| Relative PSA | 0.25426 |
| PolarSurfaceArea | 122.31 |
| Druglikeness | -0.4603 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64865 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 2 |
| Symmetricatoms | 7 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - [4-[(Z)-[[4-(benzenesulfonamido)benzoyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate | 2 - [4-[(Z)-[[4-(benzenesulfonamido)benzoyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off