[(E)-[1-amino-2-(4-chlorophenyl)ethylidene]amino] 4-iodobenzoate
Formula:C15H12N2O2ClI
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
[(E)-[1-amino-2-(4-chlorophenyl)ethylidene]amino] 4-iodobenzoate is a drug-like molecule.
| MolName | [(E)-[1-amino-2-(4-chlorophenyl)ethylidene]amino] 4-iodobenzoate |
| MolecularFormula | C15H12N2O2ClI |
| Smiles | N/C(/Cc(cc1)ccc1Cl)=N/OC(c(cc1)ccc1I)=O |
| InChI | InChI=1S/C15H12ClIN2O2/c16-12-5-1-10(2-6-12)9-14(18)19-21-15(20)11-3-7-13(17)8-4-11/h1-8H,9H2,(H2,18,19) |
| InChIK | BBICOBHKSDGSTQ-UHFFFAOYSA-N |
| TotalMolweight | 414.625 |
| Molweight | 414.625 |
| MonoisotopicMass | 413.963203 |
| CLogP | 4.1133 |
| CLogS | -5.253 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 247.72 |
| Relative PSA | 0.20111 |
| PolarSurfaceArea | 64.68 |
| Druglikeness | -2.1295 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - [(E)-[1-amino-2-(4-chlorophenyl)ethylidene]amino] 4-iodobenzoate | 2 - [(E)-[1-amino-2-(4-chlorophenyl)ethylidene]amino] 4-iodobenzoate
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