N-benzyl-N-[(Z)-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]methylideneamino]aniline
Formula:C29H23N5O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-benzyl-N-[(Z)-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]methylideneamino]aniline is a drug-like molecule.
| MolName | N-benzyl-N-[(Z)-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]methylideneamino]aniline |
| MolecularFormula | C29H23N5O2 |
| Smiles | [O-][N+](c(cc1)ccc1-c(c(/C=N\N(Cc1ccccc1)c1ccccc1)c1)nn1-c1ccccc1)=O |
| InChI | InChI=1S/C29H23N5O2/c35-34(36)28-18-16-24(17-19-28)29-25(22-33(31-29)27-14-8-3-9-15-27)20-30-32(26-12-6-2-7-13-26)21-23-10-4-1-5-11-23/h1-20,22H,21H2 |
| InChIK | FITSDAPQKWVYOM-UHFFFAOYSA-N |
| TotalMolweight | 473.535 |
| Molweight | 473.535 |
| MonoisotopicMass | 473.185175 |
| CLogP | 4.9692 |
| CLogS | -6.275 |
| H Acceptors | 7 |
| TotalSurfaceArea | 372.75 |
| Relative PSA | 0.16987 |
| PolarSurfaceArea | 79.24 |
| Druglikeness | -0.9092 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.44444 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 29 |
| Sp3Atoms | 2 |
| Symmetricatoms | 8 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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