N-[(Z)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
Formula:C26H17N4O5Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide is not a drug-like molecule.
| MolName | N-[(Z)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide |
| MolecularFormula | C26H17N4O5Cl |
| Smiles | [O-][N+](c(cc(cc1)-c2ccc(/C=N\NC(CN(c3c4cccc3)c(cccc3)c3C4=O)=O)o2)c1Cl)=O |
| InChI | InChI=1S/C26H17ClN4O5/c27-20-11-9-16(13-23(20)31(34)35)24-12-10-17(36-24)14-28-29-25(32)15-30-21-7-3-1-5-18(21)26(33)19-6-2-4-8-22(19)30/h1-14H,15H2,(H,29,32) |
| InChIK | AJFOSHDNIOOQNF-UHFFFAOYSA-N |
| TotalMolweight | 500.897 |
| Molweight | 500.897 |
| MonoisotopicMass | 500.088748 |
| CLogP | 4.9312 |
| CLogS | -9.209 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 363.6 |
| Relative PSA | 0.26713 |
| PolarSurfaceArea | 120.73 |
| Druglikeness | 3.0643 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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