[(Z)-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] 2-chloroacetate
Formula:C17H12N2O3Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
[(Z)-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] 2-chloroacetate is a drug-like molecule.
| MolName | [(Z)-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] 2-chloroacetate |
| MolecularFormula | C17H12N2O3Cl2 |
| Smiles | O=C(CCl)O/N=C(/c(cccc1)c1N1Cc(cc2)ccc2Cl)\C1=O |
| InChI | InChI=1S/C17H12Cl2N2O3/c18-9-15(22)24-20-16-13-3-1-2-4-14(13)21(17(16)23)10-11-5-7-12(19)8-6-11/h1-8H,9-10H2 |
| InChIK | VBDLNAMPDJIUFJ-UHFFFAOYSA-N |
| TotalMolweight | 363.199 |
| Molweight | 363.199 |
| MonoisotopicMass | 362.022497 |
| CLogP | 3.7112 |
| CLogS | -5.285 |
| H Acceptors | 5 |
| TotalSurfaceArea | 256.65 |
| Relative PSA | 0.19926 |
| PolarSurfaceArea | 58.97 |
| Druglikeness | 0.61 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - [(Z)-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] 2-chloroacetate | 2 - [(Z)-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] 2-chloroacetate
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