N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-2-(2-nitrophenyl)acetamide
Formula:C19H13N3O4Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-2-(2-nitrophenyl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-2-(2-nitrophenyl)acetamide |
| MolecularFormula | C19H13N3O4Cl2 |
| Smiles | [O-][N+](c1c(CC(N/N=C\c2ccc(-c3cccc(Cl)c3Cl)o2)=O)cccc1)=O |
| InChI | InChI=1S/C19H13Cl2N3O4/c20-15-6-3-5-14(19(15)21)17-9-8-13(28-17)11-22-23-18(25)10-12-4-1-2-7-16(12)24(26)27/h1-9,11H,10H2,(H,23,25) |
| InChIK | ZECNZVGTRRYDBV-UHFFFAOYSA-N |
| TotalMolweight | 418.235 |
| Molweight | 418.235 |
| MonoisotopicMass | 417.028311 |
| CLogP | 4.429 |
| CLogS | -7.078 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 304.71 |
| Relative PSA | 0.26432 |
| PolarSurfaceArea | 100.42 |
| Druglikeness | 1.4324 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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