ChemDB: Chemical Search
Download
Chemical ID: 3964433
Chemical ID:
3964433
Name [?]:
methyl 2-oxoindoline-6-carboxylate
SMILES [?]:
COC(=O)c1ccc2c(c1)NC(=O)C2
InChi [?]:
InChI=1/C10H9NO3/c1-14-10(13)7-3-2-6-5-9(12)11-8(6)4-7/h2-4H,5H2,1H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,7,6,10,14,8,5,9,12,3,11,13,4,2/rA:14nCOCOCCCCCCNCOC/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s9;s11;d12;s8s12;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H9NO3 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.28795 |
Area: | 358.807 |
Solvation: | -2.68222 |
Coulombic: | -38.9568 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 191.183 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 0.72 |
LogP (Chemaxon): | 0.72 |
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 |
---|