[(E)-(2-oxo-1-phenylindol-3-ylidene)amino] 4-chlorobutanoate
Formula:C18H15N2O3Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
[(E)-(2-oxo-1-phenylindol-3-ylidene)amino] 4-chlorobutanoate is a drug-like molecule.
| MolName | [(E)-(2-oxo-1-phenylindol-3-ylidene)amino] 4-chlorobutanoate |
| MolecularFormula | C18H15N2O3Cl |
| Smiles | O=C(CCCCl)O/N=C(\c(cccc1)c1N1c2ccccc2)/C1=O |
| InChI | InChI=1S/C18H15ClN2O3/c19-12-6-11-16(22)24-20-17-14-9-4-5-10-15(14)21(18(17)23)13-7-2-1-3-8-13/h1-5,7-10H,6,11-12H2 |
| InChIK | XDNCIDSBXPMKHP-UHFFFAOYSA-N |
| TotalMolweight | 342.781 |
| Molweight | 342.781 |
| MonoisotopicMass | 342.07712 |
| CLogP | 4.4124 |
| CLogS | -5.786 |
| H Acceptors | 5 |
| TotalSurfaceArea | 254.99 |
| Relative PSA | 0.20056 |
| PolarSurfaceArea | 58.97 |
| Druglikeness | -7.1267 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| 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 - [(E)-(2-oxo-1-phenylindol-3-ylidene)amino] 4-chlorobutanoate | 2 - [(E)-(2-oxo-1-phenylindol-3-ylidene)amino] 4-chlorobutanoate
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