[(E)-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] 4-chlorobutanoate
Formula:C19H16N2O3Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
[(E)-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] 4-chlorobutanoate is a drug-like molecule.
| MolName | [(E)-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] 4-chlorobutanoate |
| MolecularFormula | C19H16N2O3Cl2 |
| Smiles | O=C(CCCCl)O/N=C(\c(cccc1)c1N1Cc(cc2)ccc2Cl)/C1=O |
| InChI | InChI=1S/C19H16Cl2N2O3/c20-11-3-6-17(24)26-22-18-15-4-1-2-5-16(15)23(19(18)25)12-13-7-9-14(21)10-8-13/h1-2,4-5,7-10H,3,6,11-12H2 |
| InChIK | CZBHXDJJGYRTPP-UHFFFAOYSA-N |
| TotalMolweight | 391.253 |
| Molweight | 391.253 |
| MonoisotopicMass | 390.053797 |
| CLogP | 4.62 |
| CLogS | -5.825 |
| H Acceptors | 5 |
| TotalSurfaceArea | 284.17 |
| Relative PSA | 0.17996 |
| PolarSurfaceArea | 58.97 |
| Druglikeness | -6.0448 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - [(E)-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] 4-chlorobutanoate | 2 - [(E)-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] 4-chlorobutanoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off