[(E)-[amino-[3-[(4-chlorophenoxy)methyl]phenyl]methylidene]amino] thiophene-2-carboxylate
Formula:C19H15N2O3ClS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(E)-[amino-[3-[(4-chlorophenoxy)methyl]phenyl]methylidene]amino] thiophene-2-carboxylate is a drug-like molecule.
| MolName | [(E)-[amino-[3-[(4-chlorophenoxy)methyl]phenyl]methylidene]amino] thiophene-2-carboxylate |
| MolecularFormula | C19H15N2O3ClS |
| Smiles | N/C(/c1cccc(COc(cc2)ccc2Cl)c1)=N/OC(c1cccs1)=O |
| InChI | InChI=1S/C19H15ClN2O3S/c20-15-6-8-16(9-7-15)24-12-13-3-1-4-14(11-13)18(21)22-25-19(23)17-5-2-10-26-17/h1-11H,12H2,(H2,21,22) |
| InChIK | FLNUGNHASGFTDK-UHFFFAOYSA-N |
| TotalMolweight | 386.858 |
| Molweight | 386.858 |
| MonoisotopicMass | 386.04919 |
| CLogP | 4.8928 |
| CLogS | -5.623 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 287.14 |
| Relative PSA | 0.27924 |
| PolarSurfaceArea | 102.15 |
| Druglikeness | -0.17926 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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