ChemDB: Chemical Search
Download
Chemical ID: 4550320
Chemical ID:
4550320
Name [?]:
1-allyl-5-chloro-indoline-2,3-dione
SMILES [?]:
C=CCN1c2ccc(cc2C(=O)C1=O)Cl
InChi [?]:
InChI=1/C11H8ClNO2/c1-2-5-13-9-4-3-7(12)6-8(9)10(14)11(13)15/h2-4,6H,1,5H2
InChi Info:
AuxInfo=1/0/N:1,2,7,6,3,9,8,10,5,11,13,15,4,12,14/rA:15nCCCNCCCCCCCOCOCl/rB:d1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;d11;s4s11;d13;s8;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H8ClNO2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.48236 |
Area: | 387.862 |
Solvation: | -2.2142 |
Coulombic: | -28.9868 |
Bond Count [?]
All: | 16 |
Single: | 10 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 221.639 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 1.96 |
LogP (Chemaxon): | 2.14 |
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 |
---|