N-[(Z)-(2-chlorophenyl)methylideneamino]-3-(1,2-dihydroacenaphthylen-5-yl)-1H-pyrazole-5-carboxamide
Formula:C23H17N4OCl
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(2-chlorophenyl)methylideneamino]-3-(1,2-dihydroacenaphthylen-5-yl)-1H-pyrazole-5-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-(2-chlorophenyl)methylideneamino]-3-(1,2-dihydroacenaphthylen-5-yl)-1H-pyrazole-5-carboxamide |
| MolecularFormula | C23H17N4OCl |
| Smiles | O=C(c1cc(-c2ccc(CC3)c4c3cccc24)n[nH]1)N/N=C\c(cccc1)c1Cl |
| InChI | InChI=1S/C23H17ClN4O/c24-19-7-2-1-4-16(19)13-25-28-23(29)21-12-20(26-27-21)17-11-10-15-9-8-14-5-3-6-18(17)22(14)15/h1-7,10-13H,8-9H2,(H,26,27)(H,28,29) |
| InChIK | KISSGNVDMVMRDN-UHFFFAOYSA-N |
| TotalMolweight | 400.868 |
| Molweight | 400.868 |
| MonoisotopicMass | 400.109088 |
| CLogP | 5.1726 |
| CLogS | -6.99 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 299.12 |
| Relative PSA | 0.20383 |
| PolarSurfaceArea | 70.14 |
| Druglikeness | 4.5095 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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