ChemDB: Chemical Search
Download
Chemical ID: 7696283
Chemical ID:
7696283
Name [?]:
None
SMILES [?]:
COc1cc(cc(c1OC)OC)C(=O)Nc2cc(ccc2O)Cl
InChi [?]:
InChI=1/C16H16ClNO5/c1-21-13-6-9(7-14(22-2)15(13)23-3)16(20)18-11-8-10(17)4-5-12(11)19/h4-8,19H,1-3H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,12,10,19,20,4,6,17,5,18,16,21,3,7,8,13,23,15,22,14,2,11,9/E:(1,2)(6,7)(13,14)(21,22)/rA:23nCOCCCCCCOCOCCONCCCCCCOCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s11;s5;d13;s13;s15;s16;d17;s18;d19;d16s20;s21;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16ClNO5 |
All Atoms: | 39 |
Heavy Atoms: | 23 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 6.4556 |
Area: | 528.885 |
Solvation: | -6.76652 |
Coulombic: | -58.7725 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.98 |
LogP (Chemaxon): | None |
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 |
---|