N-[(Z)-anthracen-9-ylmethylideneamino]-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide
Formula:C25H17N4OCl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-anthracen-9-ylmethylideneamino]-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-anthracen-9-ylmethylideneamino]-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide |
| MolecularFormula | C25H17N4OCl |
| Smiles | O=C(c1cc(-c(cc2)ccc2Cl)n[nH]1)N/N=C\c1c(cccc2)c2cc2ccccc12 |
| InChI | InChI=1S/C25H17ClN4O/c26-19-11-9-16(10-12-19)23-14-24(29-28-23)25(31)30-27-15-22-20-7-3-1-5-17(20)13-18-6-2-4-8-21(18)22/h1-15H,(H,28,29)(H,30,31) |
| InChIK | HJZGEAYAEGMBCB-UHFFFAOYSA-N |
| TotalMolweight | 424.89 |
| Molweight | 424.89 |
| MonoisotopicMass | 424.109088 |
| CLogP | 5.8942 |
| CLogS | -8.044 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 319.7 |
| Relative PSA | 0.19071 |
| PolarSurfaceArea | 70.14 |
| Druglikeness | 5.6554 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54839 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Symmetricatoms | 8 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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