(NE)-N-[1-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroinden-2-ylidene]hydroxylamine
Formula:C24H18N2O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NE)-N-[1-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroinden-2-ylidene]hydroxylamine is not a drug-like molecule.
| MolName | (NE)-N-[1-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroinden-2-ylidene]hydroxylamine |
| MolecularFormula | C24H18N2O2S |
| Smiles | O/N=C(\Cc1c2cccc1)/C2Sc1nc(-c2ccccc2)c(-c2ccccc2)o1 |
| InChI | InChI=1S/C24H18N2O2S/c27-26-20-15-18-13-7-8-14-19(18)23(20)29-24-25-21(16-9-3-1-4-10-16)22(28-24)17-11-5-2-6-12-17/h1-14,23,27H,15H2/t23-/m1/s1 |
| InChIK | IOGZLUHQFDQWKE-HSZRJFAPSA-N |
| TotalMolweight | 398.485 |
| Molweight | 398.485 |
| MonoisotopicMass | 398.108898 |
| CLogP | 7.0615 |
| CLogS | -6.942 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 300.56 |
| Relative PSA | 0.22352 |
| PolarSurfaceArea | 83.92 |
| Druglikeness | 2.1074 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44828 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (NE)-N-[1-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroinden-2-ylidene]hydroxylamine | 2 - (NE)-N-[1-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroinden-2-ylidene]hydroxylamine
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