Chemical ID: 5276114

Cc1ccc(cc1)n2c3c(cn2)c4nc(nn4cn3)c5cccc(c5)F
Chemical ID:
5276114
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)n2c3c(cn2)c4nc(nn4cn3)c5cccc(c5)F
InChi [?]:
InChI=1/C19H13FN6/c1-12-5-7-15(8-6-12)26-18-16(10-22-26)19-23-17(24-25(19)11-21-18)13-3-2-4-14(20)9-13/h2-11H,1H3
InChi Info:
AuxInfo=1/0/N:1,22,21,23,3,7,4,6,25,11,18,2,20,24,5,10,15,9,13,26,19,12,14,16,17,8/E:(5,6)(7,8)/rA:26nCCCCCCCNCCCNCNCNNCNCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;s8d11;s10;d13;s14;d15;s13s16;s17;s9d18;s15;s20;d21;s22;d23;d20s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H13FN6
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.4078
Area:535.419
Solvation:-2.97771
Coulombic:-27.5796
Bond Count [?]
All:30
Single:19
Double:11
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:344.345
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:4.06
LogP (Chemaxon):4.54

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue