4-[(2Z)-2-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]hydrazinyl]-3-nitro-N-phenylbenzamide
Formula:C29H21N6O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(2Z)-2-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]hydrazinyl]-3-nitro-N-phenylbenzamide is not a drug-like molecule.
| MolName | 4-[(2Z)-2-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]hydrazinyl]-3-nitro-N-phenylbenzamide |
| MolecularFormula | C29H21N6O3Cl |
| Smiles | [O-][N+](c(cc(cc1)C(Nc2ccccc2)=O)c1N/N=C\c1cn(-c2ccccc2)nc1-c(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C29H21ClN6O3/c30-23-14-11-20(12-15-23)28-22(19-35(34-28)25-9-5-2-6-10-25)18-31-33-26-16-13-21(17-27(26)36(38)39)29(37)32-24-7-3-1-4-8-24/h1-19,33H,(H,32,37) |
| InChIK | UCVJCEMFQGSJAR-UHFFFAOYSA-N |
| TotalMolweight | 536.978 |
| Molweight | 536.978 |
| MonoisotopicMass | 536.136366 |
| CLogP | 6.5918 |
| CLogS | -7.37 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 404.78 |
| Relative PSA | 0.2365 |
| PolarSurfaceArea | 117.13 |
| Druglikeness | -0.17408 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.51282 |
| Fragments | 1 |
| Non HAtoms | 39 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 29 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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