2-amino-N-[(E)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]benzamide
Formula:C18H13N4O4Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-amino-N-[(E)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]benzamide is a drug-like molecule.
| MolName | 2-amino-N-[(E)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]benzamide |
| MolecularFormula | C18H13N4O4Cl |
| Smiles | Nc(cccc1)c1C(N/N=C/c1ccc(-c(cc(cc2)[N+]([O-])=O)c2Cl)o1)=O |
| InChI | InChI=1S/C18H13ClN4O4/c19-15-7-5-11(23(25)26)9-14(15)17-8-6-12(27-17)10-21-22-18(24)13-3-1-2-4-16(13)20/h1-10H,20H2,(H,22,24) |
| InChIK | PQOKUNLYTBTMPX-UHFFFAOYSA-N |
| TotalMolweight | 384.778 |
| Molweight | 384.778 |
| MonoisotopicMass | 384.062533 |
| CLogP | 3.1476 |
| CLogS | -6.453 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 284.05 |
| Relative PSA | 0.3373 |
| PolarSurfaceArea | 126.44 |
| Druglikeness | 1.3891 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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