N-[(Z)-(5-chloro-2-nitrophenyl)methylideneamino]acridin-9-amine
Formula:C20H13N4O2Cl
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
N-[(Z)-(5-chloro-2-nitrophenyl)methylideneamino]acridin-9-amine is not a drug-like molecule.
| MolName | N-[(Z)-(5-chloro-2-nitrophenyl)methylideneamino]acridin-9-amine |
| MolecularFormula | C20H13N4O2Cl |
| Smiles | [O-][N+](c(cc1)c(/C=N\Nc2c(cccc3)c3nc3ccccc23)cc1Cl)=O |
| InChI | InChI=1S/C20H13ClN4O2/c21-14-9-10-19(25(26)27)13(11-14)12-22-24-20-15-5-1-3-7-17(15)23-18-8-4-2-6-16(18)20/h1-12H,(H,23,24) |
| InChIK | SRSKCFIPUCWZFU-UHFFFAOYSA-N |
| TotalMolweight | 376.802 |
| Molweight | 376.802 |
| MonoisotopicMass | 376.072703 |
| CLogP | 5.9878 |
| CLogS | -6.552 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 276.29 |
| Relative PSA | 0.23294 |
| PolarSurfaceArea | 83.1 |
| Druglikeness | -3.1042 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.44444 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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