N-[(Z)-anthracen-9-ylmethylideneamino]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide
Formula:C23H16N4OS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-anthracen-9-ylmethylideneamino]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-anthracen-9-ylmethylideneamino]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide |
| MolecularFormula | C23H16N4OS |
| Smiles | O=C(c1c(-c2cccs2)[nH]nc1)N/N=C\c1c(cccc2)c2cc2ccccc12 |
| InChI | InChI=1S/C23H16N4OS/c28-23(20-14-24-26-22(20)21-10-5-11-29-21)27-25-13-19-17-8-3-1-6-15(17)12-16-7-2-4-9-18(16)19/h1-14H,(H,24,26)(H,27,28) |
| InChIK | PSPRFVMNPPETMI-UHFFFAOYSA-N |
| TotalMolweight | 396.473 |
| Molweight | 396.473 |
| MonoisotopicMass | 396.104481 |
| CLogP | 5.2577 |
| CLogS | -7.205 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 300.22 |
| Relative PSA | 0.2709 |
| PolarSurfaceArea | 98.38 |
| Druglikeness | 7.0712 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.48276 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 24 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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