ChemDB: Chemical Search
Download
Chemical ID: 7701404
Chemical ID:
7701404
Name [?]:
None
SMILES [?]:
c1ccc(c(c1)C(=O)NN=Cc2cccc(c2)F)OCc3ccc(cc3)Cl
InChi [?]:
InChI=1/C21H16ClFN2O2/c22-17-10-8-15(9-11-17)14-27-20-7-2-1-6-19(20)21(26)25-24-13-16-4-3-5-18(23)12-16/h1-13H,14H2,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,2,14,13,15,6,3,22,26,23,25,17,11,20,21,12,24,16,5,4,7,27,18,10,9,8,19/E:(8,9)(10,11)/rA:27nCCCCCCCONNCCCCCCCFOCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;w10;s11;s12;d13;s14;d15;d12s16;s16;s4;s19;s20;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H16ClFN2O2 |
All Atoms: | 43 |
Heavy Atoms: | 27 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.13415 |
Area: | 618.645 |
Solvation: | -6.33197 |
Coulombic: | -32.0161 |
Bond Count [?]
All: | 29 |
Single: | 18 |
Double: | 11 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 6.4 |
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 |
---|