4-chloro-N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]aniline
Formula:C22H17N4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
4-chloro-N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]aniline is not a drug-like molecule.
| MolName | 4-chloro-N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]aniline |
| MolecularFormula | C22H17N4Cl |
| Smiles | Clc(cc1)ccc1N/N=C\c1cn(-c2ccccc2)nc1-c1ccccc1 |
| InChI | InChI=1S/C22H17ClN4/c23-19-11-13-20(14-12-19)25-24-15-18-16-27(21-9-5-2-6-10-21)26-22(18)17-7-3-1-4-8-17/h1-16,25H |
| InChIK | DYXPUFNSROHVQU-UHFFFAOYSA-N |
| TotalMolweight | 372.858 |
| Molweight | 372.858 |
| MonoisotopicMass | 372.114173 |
| CLogP | 6.3659 |
| CLogS | -5.398 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 292.14 |
| Relative PSA | 0.13969 |
| PolarSurfaceArea | 42.21 |
| Druglikeness | 4.0879 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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