(2S,3S)-3-(1H-indol-3-yl)-2-nitro-1,3-diphenylpropan-1-one
Formula:C23H18N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2S,3S)-3-(1H-indol-3-yl)-2-nitro-1,3-diphenylpropan-1-one is a drug-like molecule.
| MolName | (2S,3S)-3-(1H-indol-3-yl)-2-nitro-1,3-diphenylpropan-1-one |
| MolecularFormula | C23H18N2O3 |
| Smiles | [O-][N+]([C@@H]([C@H](c1c[nH]c2c1cccc2)c1ccccc1)C(c1ccccc1)=O)=O |
| InChI | InChI=1S/C23H18N2O3/c26-23(17-11-5-2-6-12-17)22(25(27)28)21(16-9-3-1-4-10-16)19-15-24-20-14-8-7-13-18(19)20/h1-15,21-22,24H/t21-,22-/m0/s1 |
| InChIK | DIIAGCCUJQJDPE-VXKWHMMOSA-N |
| TotalMolweight | 370.407 |
| Molweight | 370.407 |
| MonoisotopicMass | 370.131743 |
| CLogP | 3.3672 |
| CLogS | -5.407 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 283.37 |
| Relative PSA | 0.20274 |
| PolarSurfaceArea | 78.68 |
| Druglikeness | -4.4625 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.42857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 2 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon | this enantiomer |
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