N-benzyl-N-[(Z)-[1-(4-nitrophenyl)-5-phenylpyrazin-2-ylidene]amino]aniline
Formula:C29H23N5O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
N-benzyl-N-[(Z)-[1-(4-nitrophenyl)-5-phenylpyrazin-2-ylidene]amino]aniline is a drug-like molecule.
| MolName | N-benzyl-N-[(Z)-[1-(4-nitrophenyl)-5-phenylpyrazin-2-ylidene]amino]aniline |
| MolecularFormula | C29H23N5O2 |
| Smiles | [O-][N+](c(cc1)ccc1N(C=C(c1ccccc1)N=C1)/C1=N\N(Cc1ccccc1)c1ccccc1)=O |
| InChI | InChI=1S/C29H23N5O2/c35-34(36)27-18-16-25(17-19-27)32-22-28(24-12-6-2-7-13-24)30-20-29(32)31-33(26-14-8-3-9-15-26)21-23-10-4-1-5-11-23/h1-20,22H,21H2 |
| InChIK | SDKUZVDMXWMLJN-UHFFFAOYSA-N |
| TotalMolweight | 473.535 |
| Molweight | 473.535 |
| MonoisotopicMass | 473.185175 |
| CLogP | 4.8963 |
| CLogS | -6.428 |
| H Acceptors | 7 |
| TotalSurfaceArea | 369.51 |
| Relative PSA | 0.16384 |
| PolarSurfaceArea | 77.02 |
| Druglikeness | -1.0888 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.41667 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 2 |
| Symmetricatoms | 8 |
| AcidicOxygens | 1 |
| StereoCon |
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