N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-3-(1,2-dihydroacenaphthylen-5-yl)-1H-pyrazole-5-carboxamide
Formula:C23H16N4OCl2
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-3-(1,2-dihydroacenaphthylen-5-yl)-1H-pyrazole-5-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-3-(1,2-dihydroacenaphthylen-5-yl)-1H-pyrazole-5-carboxamide |
| MolecularFormula | C23H16N4OCl2 |
| Smiles | O=C(c1cc(-c2ccc(CC3)c4c3cccc24)n[nH]1)N/N=C\c(cc1)cc(Cl)c1Cl |
| InChI | InChI=1S/C23H16Cl2N4O/c24-18-9-4-13(10-19(18)25)12-26-29-23(30)21-11-20(27-28-21)16-8-7-15-6-5-14-2-1-3-17(16)22(14)15/h1-4,7-12H,5-6H2,(H,27,28)(H,29,30) |
| InChIK | GYVSLSKUCXADMR-UHFFFAOYSA-N |
| TotalMolweight | 435.313 |
| Molweight | 435.313 |
| MonoisotopicMass | 434.070115 |
| CLogP | 5.7786 |
| CLogS | -7.726 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 314.54 |
| Relative PSA | 0.19384 |
| 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 | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| 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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1 - N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-3-(1,2-dihydroacenaphthylen-5-yl)-1H-pyrazole-5-carboxamide | 2 - N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-3-(1,2-dihydroacenaphthylen-5-yl)-1H-pyrazole-5-carboxamide
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