2,5-dichloro-N-[(Z)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]benzamide
Formula:C22H15N5OCl2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
2,5-dichloro-N-[(Z)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 2,5-dichloro-N-[(Z)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]benzamide |
| MolecularFormula | C22H15N5OCl2 |
| Smiles | O=C(c(cc(cc1)Cl)c1Cl)N/N=C\c1cn(-c2ccccc2)nc1-c1cnccc1 |
| InChI | InChI=1S/C22H15Cl2N5O/c23-17-8-9-20(24)19(11-17)22(30)27-26-13-16-14-29(18-6-2-1-3-7-18)28-21(16)15-5-4-10-25-12-15/h1-14H,(H,27,30) |
| InChIK | FHLUKVYVYKKZBM-UHFFFAOYSA-N |
| TotalMolweight | 436.301 |
| Molweight | 436.301 |
| MonoisotopicMass | 435.065364 |
| CLogP | 4.3317 |
| CLogS | -5.911 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 324.07 |
| Relative PSA | 0.20002 |
| PolarSurfaceArea | 72.17 |
| Druglikeness | 5.9239 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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