2-[5-[(Z)-[[2-(9-oxoacridin-10-yl)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
Formula:C27H19N3O5
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
2-[5-[(Z)-[[2-(9-oxoacridin-10-yl)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid is a drug-like molecule.
| MolName | 2-[5-[(Z)-[[2-(9-oxoacridin-10-yl)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid |
| MolecularFormula | C27H19N3O5 |
| Smiles | OC(c(cccc1)c1-c1ccc(/C=N\NC(CN(c2c3cccc2)c(cccc2)c2C3=O)=O)o1)=O |
| InChI | InChI=1S/C27H19N3O5/c31-25(16-30-22-11-5-3-9-20(22)26(32)21-10-4-6-12-23(21)30)29-28-15-17-13-14-24(35-17)18-7-1-2-8-19(18)27(33)34/h1-15H,16H2,(H,29,31)(H,33,34) |
| InChIK | ABMJBBUAKRPFMO-UHFFFAOYSA-N |
| TotalMolweight | 465.464 |
| Molweight | 465.464 |
| MonoisotopicMass | 465.132472 |
| CLogP | 4.7319 |
| CLogS | -8.026 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 348.61 |
| Relative PSA | 0.26634 |
| PolarSurfaceArea | 112.21 |
| Druglikeness | 7.9525 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.48571 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| 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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1 - 2-[5-[(Z)-[[2-(9-oxoacridin-10-yl)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid | 2 - 2-[5-[(Z)-[[2-(9-oxoacridin-10-yl)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
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