[(Z)-2,3-dihydroinden-1-ylideneamino] 2-chloroacetate
Formula:C11H10NO2Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
[(Z)-2,3-dihydroinden-1-ylideneamino] 2-chloroacetate is a drug-like molecule.
| MolName | [(Z)-2,3-dihydroinden-1-ylideneamino] 2-chloroacetate |
| MolecularFormula | C11H10NO2Cl |
| Smiles | O=C(CCl)O/N=C(/CC1)\c2c1cccc2 |
| InChI | InChI=1S/C11H10ClNO2/c12-7-11(14)15-13-10-6-5-8-3-1-2-4-9(8)10/h1-4H,5-7H2 |
| InChIK | UTWOHTYFMIFTMJ-UHFFFAOYSA-N |
| TotalMolweight | 223.658 |
| Molweight | 223.658 |
| MonoisotopicMass | 223.040006 |
| CLogP | 3.0343 |
| CLogS | -3.681 |
| H Acceptors | 3 |
| TotalSurfaceArea | 167.18 |
| Relative PSA | 0.20666 |
| PolarSurfaceArea | 38.66 |
| Druglikeness | -4.718 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| StereoCon |
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1 - [(Z)-2,3-dihydroinden-1-ylideneamino] 2-chloroacetate | 2 - [(Z)-2,3-dihydroinden-1-ylideneamino] 2-chloroacetate
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