ChemDB: Chemical Search
Download
Chemical ID: 6571859
Chemical ID:
6571859
Name [?]:
None
SMILES [?]:
c1cc(oc1)c2cn3c4ccc(c(c4n5c3c2CCCC5)F)F
InChi [?]:
InChI=1/C18H14F2N2O/c19-13-6-7-14-17(16(13)20)21-8-2-1-4-11-12(10-22(14)18(11)21)15-5-3-9-23-15/h3,5-7,9-10H,1-2,4,8H2
InChi Info:
AuxInfo=1/0/N:19,20,1,18,2,11,10,21,5,7,17,6,12,9,3,13,14,16,23,22,15,8,4/rA:23nCCCOCCCNCCCCCCNCCCCCCFF/rB:s1;d2;s3;d1s4;s3;d6;s7;s8;s9;d10;s11;d12;d9s13;s14;s8s15;s6d16;s17;s18;s19;s15s20;s13;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H14F2N2O |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.59161 |
Area: | 458.328 |
Solvation: | -3.8666 |
Coulombic: | -26.7773 |
Bond Count [?]
All: | 27 |
Single: | 20 |
Double: | 7 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 312.313 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 4.41 |
LogP (Chemaxon): | 5.15 |
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 |
---|