[(E)-[amino-[1-(2,4-dichlorophenyl)cyclopropyl]methylidene]amino] thiophene-2-carboxylate
Formula:C15H12N2O2Cl2S
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
[(E)-[amino-[1-(2,4-dichlorophenyl)cyclopropyl]methylidene]amino] thiophene-2-carboxylate is a drug-like molecule.
| MolName | [(E)-[amino-[1-(2,4-dichlorophenyl)cyclopropyl]methylidene]amino] thiophene-2-carboxylate |
| MolecularFormula | C15H12N2O2Cl2S |
| Smiles | N/C(/C1(CC1)c(ccc(Cl)c1)c1Cl)=N/OC(c1cccs1)=O |
| InChI | InChI=1S/C15H12Cl2N2O2S/c16-9-3-4-10(11(17)8-9)15(5-6-15)14(18)19-21-13(20)12-2-1-7-22-12/h1-4,7-8H,5-6H2,(H2,18,19) |
| InChIK | IYPDIBUNKRZFFM-UHFFFAOYSA-N |
| TotalMolweight | 355.244 |
| Molweight | 355.244 |
| MonoisotopicMass | 353.999652 |
| CLogP | 4.2721 |
| CLogS | -5.726 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 243.47 |
| Relative PSA | 0.28825 |
| PolarSurfaceArea | 92.92 |
| Druglikeness | 0.4929 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 4 |
| Symmetricatoms | 1 |
| StereoCon |
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1 - [(E)-[amino-[1-(2,4-dichlorophenyl)cyclopropyl]methylidene]amino] thiophene-2-carboxylate | 2 - [(E)-[amino-[1-(2,4-dichlorophenyl)cyclopropyl]methylidene]amino] thiophene-2-carboxylate
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