N-[(Z)-[3-(2,4-dichlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-3-hydroxybenzamide
Formula:C23H16N4O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3-(2,4-dichlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-3-hydroxybenzamide is a drug-like molecule.
| MolName | N-[(Z)-[3-(2,4-dichlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-3-hydroxybenzamide |
| MolecularFormula | C23H16N4O2Cl2 |
| Smiles | Oc1cccc(C(N/N=C\c2cn(-c3ccccc3)nc2-c(ccc(Cl)c2)c2Cl)=O)c1 |
| InChI | InChI=1S/C23H16Cl2N4O2/c24-17-9-10-20(21(25)12-17)22-16(14-29(28-22)18-6-2-1-3-7-18)13-26-27-23(31)15-5-4-8-19(30)11-15/h1-14,30H,(H,27,31) |
| InChIK | XWJZWERIRJLGPS-UHFFFAOYSA-N |
| TotalMolweight | 451.312 |
| Molweight | 451.312 |
| MonoisotopicMass | 450.06503 |
| CLogP | 4.9869 |
| CLogS | -6.41 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 331.66 |
| Relative PSA | 0.20186 |
| PolarSurfaceArea | 79.51 |
| Druglikeness | 5.8961 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.48387 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[3-(2,4-dichlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-3-hydroxybenzamide | 2 - N-[(Z)-[3-(2,4-dichlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-3-hydroxybenzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off