N-[(Z)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
Formula:C26H18N4O5
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide |
| MolecularFormula | C26H18N4O5 |
| Smiles | [O-][N+](c(cccc1)c1-c1ccc(/C=N\NC(CN(c2c3cccc2)c(cccc2)c2C3=O)=O)o1)=O |
| InChI | InChI=1S/C26H18N4O5/c31-25(16-29-21-10-4-2-8-19(21)26(32)20-9-3-5-11-22(20)29)28-27-15-17-13-14-24(35-17)18-7-1-6-12-23(18)30(33)34/h1-15H,16H2,(H,28,31) |
| InChIK | GEWYWBQRGFTSSK-UHFFFAOYSA-N |
| TotalMolweight | 466.452 |
| Molweight | 466.452 |
| MonoisotopicMass | 466.127721 |
| CLogP | 4.3252 |
| CLogS | -8.473 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 348.18 |
| Relative PSA | 0.27896 |
| PolarSurfaceArea | 120.73 |
| Druglikeness | 3.0318 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.48571 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| 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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