N-[(Z)-(4-bromo-3-nitrophenyl)methylideneamino]phenanthridin-6-amine
Formula:C20H13N4O2Br
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-bromo-3-nitrophenyl)methylideneamino]phenanthridin-6-amine is not a drug-like molecule.
| MolName | N-[(Z)-(4-bromo-3-nitrophenyl)methylideneamino]phenanthridin-6-amine |
| MolecularFormula | C20H13N4O2Br |
| Smiles | [O-][N+](c(cc(/C=N\Nc1nc2ccccc2c2ccccc12)cc1)c1Br)=O |
| InChI | InChI=1S/C20H13BrN4O2/c21-17-10-9-13(11-19(17)25(26)27)12-22-24-20-16-7-2-1-5-14(16)15-6-3-4-8-18(15)23-20/h1-12H,(H,23,24) |
| InChIK | ORGNAAHSYOFZIO-UHFFFAOYSA-N |
| TotalMolweight | 421.253 |
| Molweight | 421.253 |
| MonoisotopicMass | 420.022187 |
| CLogP | 6.3359 |
| CLogS | -7.28 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 279.5 |
| Relative PSA | 0.23027 |
| PolarSurfaceArea | 83.1 |
| Druglikeness | -4.9221 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.51852 |
| 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 | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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