[2-[[4-[[(Z)-[2-(4-chlorobenzoyl)oxyphenyl]methylideneamino]carbamoyl]phenyl]iminomethyl]phenyl] 4-chlorobenzoate
Formula:C35H23N3O5Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[2-[[4-[[(Z)-[2-(4-chlorobenzoyl)oxyphenyl]methylideneamino]carbamoyl]phenyl]iminomethyl]phenyl] 4-chlorobenzoate is not a drug-like molecule.
| MolName | [2-[[4-[[(Z)-[2-(4-chlorobenzoyl)oxyphenyl]methylideneamino]carbamoyl]phenyl]iminomethyl]phenyl] 4-chlorobenzoate |
| MolecularFormula | C35H23N3O5Cl2 |
| Smiles | O=C(c(cc1)ccc1/N=C/c(cccc1)c1OC(c(cc1)ccc1Cl)=O)N/N=C\c(cccc1)c1OC(c(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C35H23Cl2N3O5/c36-28-15-9-24(10-16-28)34(42)44-31-7-3-1-5-26(31)21-38-30-19-13-23(14-20-30)33(41)40-39-22-27-6-2-4-8-32(27)45-35(43)25-11-17-29(37)18-12-25/h1-22H,(H,40,41) |
| InChIK | CZADEPHILIMOLO-UHFFFAOYSA-N |
| TotalMolweight | 636.49 |
| Molweight | 636.49 |
| MonoisotopicMass | 635.101476 |
| CLogP | 8.6484 |
| CLogS | -9.675 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 477.37 |
| Relative PSA | 0.19607 |
| PolarSurfaceArea | 106.42 |
| Druglikeness | 4.0416 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62222 |
| Fragments | 1 |
| Non HAtoms | 45 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 11 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 30 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| StereoCon |
Click to Load Molecule:
1 - [2-[[4-[[(Z)-[2-(4-chlorobenzoyl)oxyphenyl]methylideneamino]carbamoyl]phenyl]iminomethyl]phenyl] 4-chlorobenzoate | 2 - [2-[[4-[[(Z)-[2-(4-chlorobenzoyl)oxyphenyl]methylideneamino]carbamoyl]phenyl]iminomethyl]phenyl] 4-chlorobenzoate
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