1-[(4-chlorophenyl)methyl]-3-hydroxy-3-[(E)-2-oxo-4-phenylbut-3-enyl]indol-2-one
Formula:C25H20NO3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(4-chlorophenyl)methyl]-3-hydroxy-3-[(E)-2-oxo-4-phenylbut-3-enyl]indol-2-one is a drug-like molecule.
| MolName | 1-[(4-chlorophenyl)methyl]-3-hydroxy-3-[(E)-2-oxo-4-phenylbut-3-enyl]indol-2-one |
| MolecularFormula | C25H20NO3Cl |
| Smiles | OC(CC(/C=C/c1ccccc1)=O)(c(cccc1)c1N1Cc(cc2)ccc2Cl)C1=O |
| InChI | InChI=1S/C25H20ClNO3/c26-20-13-10-19(11-14-20)17-27-23-9-5-4-8-22(23)25(30,24(27)29)16-21(28)15-12-18-6-2-1-3-7-18/h1-15,30H,16-17H2/t25-/m0/s1 |
| InChIK | FUOLQLBIDSAFPJ-VWLOTQADSA-N |
| TotalMolweight | 417.891 |
| Molweight | 417.891 |
| MonoisotopicMass | 417.113171 |
| CLogP | 4.4467 |
| CLogS | -5.64 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 311.28 |
| Relative PSA | 0.13727 |
| PolarSurfaceArea | 57.61 |
| Druglikeness | 5.3574 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon | racemate |
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1 - 1-[(4-chlorophenyl)methyl]-3-hydroxy-3-[(E)-2-oxo-4-phenylbut-3-enyl]indol-2-one | 2 - 1-[(4-chlorophenyl)methyl]-3-hydroxy-3-[(E)-2-oxo-4-phenylbut-3-enyl]indol-2-one
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