N-[(Z)-(4-bromo-3-nitrophenyl)methylideneamino]-4-chlorophthalazin-1-amine
Formula:C15H9N5O2BrCl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(4-bromo-3-nitrophenyl)methylideneamino]-4-chlorophthalazin-1-amine is not a drug-like molecule.
| MolName | N-[(Z)-(4-bromo-3-nitrophenyl)methylideneamino]-4-chlorophthalazin-1-amine |
| MolecularFormula | C15H9N5O2BrCl |
| Smiles | [O-][N+](c(cc(/C=N\Nc(c1ccccc11)nnc1Cl)cc1)c1Br)=O |
| InChI | InChI=1S/C15H9BrClN5O2/c16-12-6-5-9(7-13(12)22(23)24)8-18-20-15-11-4-2-1-3-10(11)14(17)19-21-15/h1-8H,(H,20,21) |
| InChIK | RHKLYJNDQMWYRL-UHFFFAOYSA-N |
| TotalMolweight | 406.626 |
| Molweight | 406.626 |
| MonoisotopicMass | 404.962813 |
| CLogP | 5.0639 |
| CLogS | -5.827 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 259.08 |
| Relative PSA | 0.29076 |
| PolarSurfaceArea | 95.99 |
| Druglikeness | -4.8942 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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