N-[(Z)-(5-nitro-2-pyrrolidin-1-ylphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
Formula:C26H23N5O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(5-nitro-2-pyrrolidin-1-ylphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(5-nitro-2-pyrrolidin-1-ylphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide |
| MolecularFormula | C26H23N5O4 |
| Smiles | [O-][N+](c(cc1)cc(/C=N\NC(CN(c2c3cccc2)c(cccc2)c2C3=O)=O)c1N1CCCC1)=O |
| InChI | InChI=1S/C26H23N5O4/c32-25(17-30-23-9-3-1-7-20(23)26(33)21-8-2-4-10-24(21)30)28-27-16-18-15-19(31(34)35)11-12-22(18)29-13-5-6-14-29/h1-4,7-12,15-16H,5-6,13-14,17H2,(H,28,32) |
| InChIK | KJIUCSPMBCGXLU-UHFFFAOYSA-N |
| TotalMolweight | 469.5 |
| Molweight | 469.5 |
| MonoisotopicMass | 469.175005 |
| CLogP | 3.8773 |
| CLogS | -7.735 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 350.57 |
| Relative PSA | 0.24694 |
| PolarSurfaceArea | 110.83 |
| Druglikeness | 1.0925 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.42857 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 8 |
| Symmetricatoms | 8 |
| Amines | 2 |
| Aromatic Amines | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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