[3-(4-chlorobenzoyl)oxy-4-[(Z)-[[2-(2-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Formula:C29H19N3O8Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[3-(4-chlorobenzoyl)oxy-4-[(Z)-[[2-(2-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate is not a drug-like molecule.
| MolName | [3-(4-chlorobenzoyl)oxy-4-[(Z)-[[2-(2-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate |
| MolecularFormula | C29H19N3O8Cl2 |
| Smiles | [O-][N+](c(cccc1)c1OCC(N/N=C\c(ccc(OC(c(cc1)ccc1Cl)=O)c1)c1OC(c(cc1)ccc1Cl)=O)=O)=O |
| InChI | InChI=1S/C29H19Cl2N3O8/c30-21-10-5-18(6-11-21)28(36)41-23-14-9-20(26(15-23)42-29(37)19-7-12-22(31)13-8-19)16-32-33-27(35)17-40-25-4-2-1-3-24(25)34(38)39/h1-16H,17H2,(H,33,35) |
| InChIK | IYJIUFUVHKMSDZ-UHFFFAOYSA-N |
| TotalMolweight | 608.389 |
| Molweight | 608.389 |
| MonoisotopicMass | 607.054921 |
| CLogP | 5.9279 |
| CLogS | -8.373 |
| H Acceptors | 11 |
| H Donors | 1 |
| TotalSurfaceArea | 440.28 |
| Relative PSA | 0.27825 |
| PolarSurfaceArea | 149.11 |
| Druglikeness | -1.0267 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 42 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 12 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - [3-(4-chlorobenzoyl)oxy-4-[(Z)-[[2-(2-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate | 2 - [3-(4-chlorobenzoyl)oxy-4-[(Z)-[[2-(2-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off