[(E)-[amino-[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methylidene]amino] 5-nitrofuran-2-carboxylate
Formula:C19H13N3O6Cl2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(E)-[amino-[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methylidene]amino] 5-nitrofuran-2-carboxylate is a drug-like molecule.
| MolName | [(E)-[amino-[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methylidene]amino] 5-nitrofuran-2-carboxylate |
| MolecularFormula | C19H13N3O6Cl2 |
| Smiles | N/C(/c(cc1)cc(Cl)c1OCc(cc1)ccc1Cl)=N/OC(c1ccc([N+]([O-])=O)o1)=O |
| InChI | InChI=1S/C19H13Cl2N3O6/c20-13-4-1-11(2-5-13)10-28-15-6-3-12(9-14(15)21)18(22)23-30-19(25)16-7-8-17(29-16)24(26)27/h1-9H,10H2,(H2,22,23) |
| InChIK | SLTXOUAEXVUNPG-UHFFFAOYSA-N |
| TotalMolweight | 450.233 |
| Molweight | 450.233 |
| MonoisotopicMass | 449.018141 |
| CLogP | 4.2507 |
| CLogS | -7.016 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 319.98 |
| Relative PSA | 0.32611 |
| PolarSurfaceArea | 132.87 |
| Druglikeness | -4.966 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - [(E)-[amino-[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methylidene]amino] 5-nitrofuran-2-carboxylate | 2 - [(E)-[amino-[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methylidene]amino] 5-nitrofuran-2-carboxylate
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