N-[(Z)-(4-bromo-3-nitrophenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
Formula:C19H15N4O3Br
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(4-bromo-3-nitrophenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(4-bromo-3-nitrophenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide |
| MolecularFormula | C19H15N4O3Br |
| Smiles | [O-][N+](c(cc(/C=N\NC(CNc1cc2ccccc2cc1)=O)cc1)c1Br)=O |
| InChI | InChI=1S/C19H15BrN4O3/c20-17-8-5-13(9-18(17)24(26)27)11-22-23-19(25)12-21-16-7-6-14-3-1-2-4-15(14)10-16/h1-11,21H,12H2,(H,23,25) |
| InChIK | HMJAQBQLTDDSEF-UHFFFAOYSA-N |
| TotalMolweight | 427.257 |
| Molweight | 427.257 |
| MonoisotopicMass | 426.032752 |
| CLogP | 3.4915 |
| CLogS | -6.443 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 289.11 |
| Relative PSA | 0.26941 |
| PolarSurfaceArea | 99.31 |
| Druglikeness | -1.9192 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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