ChemDB: Chemical Search
Download
Chemical ID: 5509341
Chemical ID:
5509341
Name [?]:
None
SMILES [?]:
CC1CC2=C(C(Sc3ccccc3N2)c4ccc(cc4)F)C(=O)C1
InChi [?]:
InChI=1/C20H18FNOS/c1-12-10-16-19(17(23)11-12)20(13-6-8-14(21)9-7-13)24-18-5-3-2-4-15(18)22-16/h2-9,12,20,22H,10-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,11,10,12,9,16,20,17,19,3,24,2,15,18,13,4,22,8,5,6,21,14,23,7/E:(6,7)(8,9)/rA:24cCCCCCCSCCCCCCNCCCCCCFCOC/rB:s1;s2;s3;d4;s5;s6;s7;s8;d9;s10;d11;d8s12;s4s13;s6;s15;d16;s17;d18;d15s19;s18;s5;d22;s2s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H18FNOS |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 9.45833 |
Area: | 492.055 |
Solvation: | -2.84303 |
Coulombic: | -25.2535 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 339.427 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.38 |
LogP (Chemaxon): | 4.28 |
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 |
---|