Chemical ID: 5275986

Cc1cccc(c1)n2c3c(cn2)c4nc(nn4cn3)c5cccc(c5)F
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

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Descriptor Annotations

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