Chemical ID: 5284940

Cc1ccc(c(c1)C)n2c3c(cn2)c4nc(nn4cn3)c5ccccc5
Chemical ID:
5284940
Name [?]:
None
SMILES [?]:
Cc1ccc(c(c1)C)n2c3c(cn2)c4nc(nn4cn3)c5ccccc5
InChi [?]:
InChI=1/C20H16N6/c1-13-8-9-17(14(2)10-13)26-19-16(11-22-26)20-23-18(24-25(20)12-21-19)15-6-4-3-5-7-15/h3-12H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,24,23,25,22,26,3,4,7,12,19,2,6,21,11,5,16,10,14,20,13,15,17,18,9/E:(4,5)(6,7)/rA:26nCCCCCCCCNCCCNCNCNNCNCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s11;s9d12;s11;d14;s15;d16;s14s17;s18;s10d19;s16;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H16N6
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.4296
Area:542.076
Solvation:-2.12227
Coulombic:-24.7821
Bond Count [?]
All:30
Single:19
Double:11
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:340.381
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:4.12
LogP (Chemaxon):4.86

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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