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Chemical ID: 5275986
Chemical ID:
5275986
Name [?]:
None
SMILES [?]:
Cc1cccc(c1)n2c3c(cn2)c4nc(nn4cn3)c5cccc(c5)F
InChi [?]:
InChI=1/C19H13FN6/c1-12-4-2-7-15(8-12)26-18-16(10-22-26)19-23-17(24-25(19)11-21-18)13-5-3-6-14(20)9-13/h2-11H,1H3
InChi Info:
AuxInfo=1/0/N:1,4,22,3,21,23,5,7,25,11,18,2,20,24,6,10,15,9,13,26,19,12,14,16,17,8/rA:26nCCCCCCCNCCCNCNCNNCNCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s6;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: | 10.3691 |
Area: | 534.077 |
Solvation: | -2.98282 |
Coulombic: | -27.6073 |
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
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Experimental Annotations
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Descriptor Annotations
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