ChemDB: Chemical Search
Download
Chemical ID: 4334100
Chemical ID:
4334100
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)ccc3c2NC(=O)CC3c4cccc(c4)C(F)(F)F
InChi [?]:
InChI=1/C20H14F3NO/c21-20(22,23)14-6-3-5-13(10-14)17-11-18(25)24-19-15-7-2-1-4-12(15)8-9-16(17)19/h1-10,17H,11H2,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,18,6,17,19,3,7,8,21,14,5,16,20,4,9,15,12,10,22,23,24,25,11,13/E:(21,22,23)/rA:25cCCCCCCCCCCNCOCCCCCCCCCFFF/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;s11;d12;s12;s9s14;s15;s16;d17;s18;d19;d16s20;s20;s22;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H14F3NO |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.45761 |
Area: | 494.055 |
Solvation: | -2.89376 |
Coulombic: | -41.3192 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 341.327 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.63 |
LogP (Chemaxon): | 5.0 |
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 |
---|