2-cyano-N-[(Z)-[1-(4-nitrophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]acetamide
Formula:C26H19N5O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-cyano-N-[(Z)-[1-(4-nitrophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-cyano-N-[(Z)-[1-(4-nitrophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]acetamide |
| MolecularFormula | C26H19N5O3 |
| Smiles | N#CCC(N/N=C\c(cc1-c2ccccc2)c(-c2ccccc2)n1-c(cc1)ccc1[N+]([O-])=O)=O |
| InChI | InChI=1S/C26H19N5O3/c27-16-15-25(32)29-28-18-21-17-24(19-7-3-1-4-8-19)30(26(21)20-9-5-2-6-10-20)22-11-13-23(14-12-22)31(33)34/h1-14,17-18H,15H2,(H,29,32) |
| InChIK | OBUAXQAMHJYLCA-UHFFFAOYSA-N |
| TotalMolweight | 449.469 |
| Molweight | 449.469 |
| MonoisotopicMass | 449.14879 |
| CLogP | 4.2215 |
| CLogS | -9.298 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 354.85 |
| Relative PSA | 0.24478 |
| PolarSurfaceArea | 116 |
| Druglikeness | -6.803 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.47059 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-cyano-N-[(Z)-[1-(4-nitrophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]acetamide | 2 - 2-cyano-N-[(Z)-[1-(4-nitrophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]acetamide
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