ChemDB: Chemical Search
Download
Chemical ID: 6882687
Chemical ID:
6882687
Name [?]:
None
SMILES [?]:
c1cc(cc(c1)Cl)NC(=O)COc2ccc3c(c2)oc(=O)c4c3CCC4
InChi [?]:
InChI=1/C20H16ClNO4/c21-12-3-1-4-13(9-12)22-19(23)11-25-14-7-8-16-15-5-2-6-17(15)20(24)26-18(16)10-14/h1,3-4,7-10H,2,5-6,11H2,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,25,6,2,24,26,14,15,4,18,11,5,3,13,23,16,22,17,9,20,7,8,10,21,12,19/rA:26nCCCCCCClNCOCOCCCCCCOCOCCCCC/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s17;s19;d20;s20;s16d22;s23;s24;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H16ClNO4 |
All Atoms: | 42 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.12479 |
Area: | 577.432 |
Solvation: | -5.311 |
Coulombic: | -46.7165 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 369.798 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.57 |
LogP (Chemaxon): | 4.29 |
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 |
---|