ChemDB: Chemical Search
Download
Chemical ID: 7666669
Chemical ID:
7666669
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)[nH]c(n2)c3c(n(nn3)c4cccc(c4)F)N
InChi [?]:
InChI=1/C15H11FN6/c16-9-4-3-5-10(8-9)22-14(17)13(20-21-22)15-18-11-6-1-2-7-12(11)19-15/h1-8H,17H2,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,17,18,16,6,3,20,19,15,5,4,10,11,8,21,22,7,9,14,13,12/E:(1,2)(6,7)(11,12)(18,19)/rA:22nCCCCCCNCNCCNNNCCCCCCFN/rB:s1;d2;s3;d4;d1s5;s5;s7;s4d8;s8;d10;s11;s12;s10d13;s12;s15;d16;s17;d18;d15s19;s19;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H11FN6 |
All Atoms: | 33 |
Heavy Atoms: | 22 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.19234 |
Area: | 468.349 |
Solvation: | -2.51639 |
Coulombic: | -44.2314 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 2 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.56 |
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 |
---|