ChemDB: Chemical Search
Download
Chemical ID: 4567387
Chemical ID:
4567387
Name [?]:
None
SMILES [?]:
Cc1c(ccc2c1oc(=O)c3c2CCC3)OCC(=O)NCC(=O)O
InChi [?]:
InChI=1/C17H17NO6/c1-9-13(23-8-14(19)18-7-15(20)21)6-5-11-10-3-2-4-12(10)17(22)24-16(9)11/h5-6H,2-4,7-8H2,1H3,(H,18,19)(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,14,13,15,5,4,21,17,2,12,6,11,3,18,22,7,9,20,19,23,24,10,16,8/E:(20,21)/rA:24nCCCCCCCOCOCCCCCOCCONCCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s6d11;s12;s13;s11s14;s3;s16;s17;d18;s18;s20;s21;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17NO6 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.5452 |
Area: | 532.868 |
Solvation: | -5.77649 |
Coulombic: | -72.4453 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 331.32 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 0.99 |
LogP (Chemaxon): | 1.62 |
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 |
---|