ChemDB: Chemical Search
Download
Chemical ID: 6516850
Chemical ID:
6516850
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)ccc3c2c(cc(n3)c4c(cccc4Cl)F)C(=O)O
InChi [?]:
InChI=1/C20H11ClFNO2/c21-14-6-3-7-15(22)19(14)17-10-13(20(24)25)18-12-5-2-1-4-11(12)8-9-16(18)23-17/h1-10H,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,18,6,3,19,17,7,8,12,5,4,11,20,16,9,13,10,15,23,21,22,14,24,25/E:(24,25)/rA:25nCCCCCCCCCCCCCNCCCCCCClFCOO/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;d11;s12;s9d13;s13;s15;d16;s17;d18;d15s19;s20;s16;s11;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H11ClFNO2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.45818 |
Area: | 498.401 |
Solvation: | -3.00184 |
Coulombic: | -38.8081 |
Bond Count [?]
All: | 28 |
Single: | 17 |
Double: | 11 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 351.758 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.82 |
LogP (Chemaxon): | 5.4 |
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 |
---|