N-[(Z)-anthracen-9-ylmethylideneamino]-4-bromo-1-[(4-chlorophenyl)methyl]pyrazole-3-carboxamide
Formula:C26H18N4OBrCl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-anthracen-9-ylmethylideneamino]-4-bromo-1-[(4-chlorophenyl)methyl]pyrazole-3-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-anthracen-9-ylmethylideneamino]-4-bromo-1-[(4-chlorophenyl)methyl]pyrazole-3-carboxamide |
| MolecularFormula | C26H18N4OBrCl |
| Smiles | O=C(c1nn(Cc(cc2)ccc2Cl)cc1Br)N/N=C\c1c(cccc2)c2cc2ccccc12 |
| InChI | InChI=1S/C26H18BrClN4O/c27-24-16-32(15-17-9-11-20(28)12-10-17)31-25(24)26(33)30-29-14-23-21-7-3-1-5-18(21)13-19-6-2-4-8-22(19)23/h1-14,16H,15H2,(H,30,33) |
| InChIK | WOCCYYZUONYQEV-UHFFFAOYSA-N |
| TotalMolweight | 517.813 |
| Molweight | 517.813 |
| MonoisotopicMass | 516.035249 |
| CLogP | 6.3954 |
| CLogS | -8.084 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 351.72 |
| Relative PSA | 0.1531 |
| PolarSurfaceArea | 59.28 |
| Druglikeness | 1.9104 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Sp3Atoms | 1 |
| Symmetricatoms | 8 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-anthracen-9-ylmethylideneamino]-4-bromo-1-[(4-chlorophenyl)methyl]pyrazole-3-carboxamide | 2 - N-[(Z)-anthracen-9-ylmethylideneamino]-4-bromo-1-[(4-chlorophenyl)methyl]pyrazole-3-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off