N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acridin-9-amine
Formula:C20H13N3Cl2
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acridin-9-amine is not a drug-like molecule.
| MolName | N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acridin-9-amine |
| MolecularFormula | C20H13N3Cl2 |
| Smiles | Clc(ccc(/C=N\Nc1c(cccc2)c2nc2ccccc12)c1)c1Cl |
| InChI | InChI=1S/C20H13Cl2N3/c21-16-10-9-13(11-17(16)22)12-23-25-20-14-5-1-3-7-18(14)24-19-8-4-2-6-15(19)20/h1-12H,(H,24,25) |
| InChIK | RKXGAIIRHURFIY-UHFFFAOYSA-N |
| TotalMolweight | 366.25 |
| Molweight | 366.25 |
| MonoisotopicMass | 365.048651 |
| CLogP | 7.6858 |
| CLogS | -6.828 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 268.04 |
| Relative PSA | 0.12662 |
| PolarSurfaceArea | 37.28 |
| Druglikeness | 2.3845 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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