1-(4-Chlorobenzyl)-1H-indole-2,3-dione
PubChem CID: 277990
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| Compound Synonyms | 26960-66-7, 1-(4-Chlorobenzyl)-1H-indole-2,3-dione, 1-(4-Chlorobenzyl)indoline-2,3-dione, 1-(4-chloro-benzyl)-1h-indole-2,3-dione, 1-[(4-chlorophenyl)methyl]indole-2,3-dione, NSC127077, NSC 127077, 1-[(4-chlorophenyl)methyl]-2,3-dihydro-1H-indole-2,3-dione, DTXSID20181446, 1-(4-CHLOROBENZYL)ISATIN, NSC-127077, 1H-Indole-2,3-dione, 1-[(4-chlorophenyl)methyl]-, 4-chlorobenzylisatin, MFCD00030254, CBMicro_042181, Cambridge id 6046772, Isatin-based compound, 15, 1-(4-chlorobenzyl)-isatin, 72RW29KS2L, CHEMBL376291, SCHEMBL3027106, BDBM22795, DTXCID30103937, VEBLIIOSJXGVAW-UHFFFAOYSA-N, KUC112570N, ALBB-014030, STK000378, AKOS000115221, SB64252, KSC-321-043, 11F-308S, Indole-2,3-dione, 1-(p-chlorobenzyl)-, PD178961, BIM-0042140.P001, CS-0206218, EN300-01090, 1-[(4-chlorophenyl)methyl]indoline-2,3-dione, G31945, 1-[(4-Chlorophenyl)methyl]-1H-indole-2,3-dione, SR-01000465888, SR-01000465888-1, Z56862405, 666-412-3 |
|---|---|
| Topological Polar Surface Area | 37.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 376.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-[(4-chlorophenyl)methyl]indole-2,3-dione |
| Prediction Hob | 1.0 |
| Target Id | NPT166, NPT439, NPT203 |
| Xlogp | 2.7 |
| Molecular Formula | C15H10ClNO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VEBLIIOSJXGVAW-UHFFFAOYSA-N |
| Fcsp3 | 0.0666666666666666 |
| Logs | -5.538 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.104 |
| Compound Name | 1-(4-Chlorobenzyl)-1H-indole-2,3-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 271.04 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 271.04 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 271.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.560927021052631 |
| Inchi | InChI=1S/C15H10ClNO2/c16-11-7-5-10(6-8-11)9-17-13-4-2-1-3-12(13)14(18)15(17)19/h1-8H,9H2 |
| Smiles | C1=CC=C2C(=C1)C(=O)C(=O)N2CC3=CC=C(C=C3)Cl |
| 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