[(Z)-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] 3-chloropropanoate
Formula:C18H14N2O3Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
[(Z)-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] 3-chloropropanoate is a drug-like molecule.
| MolName | [(Z)-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] 3-chloropropanoate |
| MolecularFormula | C18H14N2O3Cl2 |
| Smiles | O=C(CCCl)O/N=C(/c(cccc1)c1N1Cc(cc2)ccc2Cl)\C1=O |
| InChI | InChI=1S/C18H14Cl2N2O3/c19-10-9-16(23)25-21-17-14-3-1-2-4-15(14)22(18(17)24)11-12-5-7-13(20)8-6-12/h1-8H,9-11H2 |
| InChIK | OFKFDTYDHZZONE-UHFFFAOYSA-N |
| TotalMolweight | 377.226 |
| Molweight | 377.226 |
| MonoisotopicMass | 376.038147 |
| CLogP | 4.1656 |
| CLogS | -5.555 |
| H Acceptors | 5 |
| TotalSurfaceArea | 270.41 |
| Relative PSA | 0.18912 |
| PolarSurfaceArea | 58.97 |
| Druglikeness | -1.3357 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - [(Z)-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] 3-chloropropanoate | 2 - [(Z)-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] 3-chloropropanoate
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