3-[[(Z)-[(1S)-4-fluoro-3-oxo-1-phenyl-1H-inden-2-ylidene]methyl]amino]benzonitrile
Formula:C23H15N2OF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[[(Z)-[(1S)-4-fluoro-3-oxo-1-phenyl-1H-inden-2-ylidene]methyl]amino]benzonitrile is a drug-like molecule.
| MolName | 3-[[(Z)-[(1S)-4-fluoro-3-oxo-1-phenyl-1H-inden-2-ylidene]methyl]amino]benzonitrile |
| MolecularFormula | C23H15N2OF |
| Smiles | N#Cc1cccc(N/C=C(/[C@H](c2cccc(F)c22)c3ccccc3)\C2=O)c1 |
| InChI | InChI=1S/C23H15FN2O/c24-20-11-5-10-18-21(16-7-2-1-3-8-16)19(23(27)22(18)20)14-26-17-9-4-6-15(12-17)13-25/h1-12,14,21,26H/t21-/m1/s1 |
| InChIK | XVCODOIHEIVHMA-OAQYLSRUSA-N |
| TotalMolweight | 354.383 |
| Molweight | 354.383 |
| MonoisotopicMass | 354.116841 |
| CLogP | 3.7217 |
| CLogS | -6.195 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 273.76 |
| Relative PSA | 0.13903 |
| PolarSurfaceArea | 52.89 |
| Druglikeness | -4.7554 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48148 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon | this enantiomer |
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1 - 3-[[(Z)-[(1S)-4-fluoro-3-oxo-1-phenyl-1H-inden-2-ylidene]methyl]amino]benzonitrile | 2 - 3-[[(Z)-[(1S)-4-fluoro-3-oxo-1-phenyl-1H-inden-2-ylidene]methyl]amino]benzonitrile
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