(2-chlorophenyl)methyl 4-[5-[(Z)-[(E)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]hydrazinylidene]methyl]furan-2-yl]benzoate
Formula:C22H17N6O4Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(2-chlorophenyl)methyl 4-[5-[(Z)-[(E)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]hydrazinylidene]methyl]furan-2-yl]benzoate is not a drug-like molecule.
| MolName | (2-chlorophenyl)methyl 4-[5-[(Z)-[(E)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]hydrazinylidene]methyl]furan-2-yl]benzoate |
| MolecularFormula | C22H17N6O4Cl |
| Smiles | N/C(/c1nonc1N)=N/N=C\c1ccc(-c(cc2)ccc2C(OCc(cccc2)c2Cl)=O)o1 |
| InChI | InChI=1S/C22H17ClN6O4/c23-17-4-2-1-3-15(17)12-31-22(30)14-7-5-13(6-8-14)18-10-9-16(32-18)11-26-27-20(24)19-21(25)29-33-28-19/h1-11H,12H2,(H2,24,27)(H2,25,29) |
| InChIK | VABGESIUXUGWAF-UHFFFAOYSA-N |
| TotalMolweight | 464.868 |
| Molweight | 464.868 |
| MonoisotopicMass | 464.099981 |
| CLogP | 5.055 |
| CLogS | -6.425 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 351.14 |
| Relative PSA | 0.361 |
| PolarSurfaceArea | 155.12 |
| Druglikeness | 4.5088 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - (2-chlorophenyl)methyl 4-[5-[(Z)-[(E)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]hydrazinylidene]methyl]furan-2-yl]benzoate | 2 - (2-chlorophenyl)methyl 4-[5-[(Z)-[(E)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]hydrazinylidene]methyl]furan-2-yl]benzoate
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