ChemDB: Chemical Search
Download
Chemical ID: 6656528
Chemical ID:
6656528
Name [?]:
1-acetyl-3,3-dimethyl-indolin-2-one
SMILES [?]:
CC(=O)N1c2ccccc2C(C1=O)(C)C
InChi [?]:
InChI=1/C12H13NO2/c1-8(14)13-10-7-5-4-6-9(10)12(2,3)11(13)15/h4-7H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,14,15,8,7,9,6,2,10,5,12,11,4,3,13/E:(2,3)/rA:15nCCONCCCCCCCCOCC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s10;s4s11;d12;s11;s11;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H13NO2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.23364 |
Area: | 358.681 |
Solvation: | -1.73338 |
Coulombic: | -25.5936 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 203.237 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 1.72 |
LogP (Chemaxon): | 1.92 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|