1-Phenylisatin
PubChem CID: 12884
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| Compound Synonyms | 1-Phenylisatin, 723-89-7, 1-Phenylindoline-2,3-dione, 1-phenylindole-2,3-dione, 1-Phenyl-1H-indole-2,3-dione, 1H-Indole-2,3-dione, 1-phenyl-, N-Phenylisatin, 1-phenyl-2,3-dihydro-1H-indole-2,3-dione, 1-Phenyl-indole-2,3-dione, Phenyl Isatin, N-phenyl isatin, INDOLE-2,3-DIONE, 1-PHENYL-, SMR000131753, NSC 100013, BRN 0164531, phenylisatin, 1-phenyl isatin, MFCD00082681, NSC100013, 1-Phenylisatin, 97%, 1H-Indole-2,3-dione, 1-phenyl- (9CI), Isatin-based compound, 13, 1-Phenyl-2,3-indolinedione, 5-21-10-00247 (Beilstein Handbook Reference), MLS000521345, MLS002473342, SCHEMBL916808, CHEMBL117447, BDBM22793, DTXSID20222626, HMS2466D08, 1-Phenyl-1H-indole-2,3-dione #, AKOS001582739, 6L-325S, CCG-202928, NSC-100013, SB64106, NCGC00245965-01, 1-Phenyl-2,3-indolinedione, NSC 100013, CS-0071223, EU-0033322, P2279, D92197, A837514, AE-641/30401023, SR-01000597222, SR-01000597222-1, F0850-6840, 1‐phenylindole‐2,3‐dione (Compound 6), 624-596-2 |
|---|---|
| Topological Polar Surface Area | 37.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 333.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-phenylindole-2,3-dione |
| Prediction Hob | 1.0 |
| Target Id | NPT166, NPT439, NPT203 |
| Xlogp | 2.1 |
| Molecular Formula | C14H9NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UWCPWBIMRYXUOU-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -4.641 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.942 |
| Compound Name | 1-Phenylisatin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 223.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 223.063 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 223.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.028585141176471 |
| Inchi | InChI=1S/C14H9NO2/c16-13-11-8-4-5-9-12(11)15(14(13)17)10-6-2-1-3-7-10/h1-9H |
| Smiles | C1=CC=C(C=C1)N2C3=CC=CC=C3C(=O)C2=O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Salvia Miltiorrhiza (Plant) Rel Props:Source_db:cmaup_ingredients