ChemDB: Chemical Search
Download
Chemical ID: 6392964
Chemical ID:
6392964
Name [?]:
2-benzoylisoindoline-1,3-dione
SMILES [?]:
c1ccc(cc1)C(=O)N2C(=O)c3ccccc3C2=O
InChi [?]:
InChI=1/C15H9NO3/c17-13(10-6-2-1-3-7-10)16-14(18)11-8-4-5-9-12(11)15(16)19/h1-9H
InChi Info:
AuxInfo=1/0/N:1,2,6,14,15,3,5,13,16,4,12,17,7,10,18,9,8,11,19/E:(2,3)(4,5)(6,7)(8,9)(11,12)(14,15)(18,19)/rA:19nCCCCCCCONCOCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;d10;s10;s12;d13;s14;d15;d12s16;s9s17;d18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H9NO3 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.221 |
Area: | 411.613 |
Solvation: | -3.06933 |
Coulombic: | -36.6717 |
Bond Count [?]
All: | 21 |
Single: | 12 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 251.237 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 2.72 |
LogP (Chemaxon): | 2.11 |
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 |
---|