Chemical ID: 4682207

Cc1cc(n(n1)c2nc3c(c4ccccc4[nH]3)nn2)C
Chemical ID:
4682207
Name [?]:
None
SMILES [?]:
Cc1cc(n(n1)c2nc3c(c4ccccc4[nH]3)nn2)C
InChi [?]:
InChI=1/C14H12N6/c1-8-7-9(2)20(19-8)14-16-13-12(17-18-14)10-5-3-4-6-11(10)15-13/h3-7H,1-2H3,(H,15,16,18)
InChi Info:
AuxInfo=1/1/N:1,20,13,14,12,15,3,2,4,11,16,10,9,7,17,8,18,19,6,5/rA:20nCCCCNNCNCCCCCCCCNNNC/rB:s1;s2;d3;s4;d2s5;s5;s7;d8;s9;s10;s11;d12;s13;d14;d11s15;s9s16;d10;d7s18;s4;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H12N6
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.97226
Area:439.559
Solvation:-2.01671
Coulombic:-28.6493
Bond Count [?]
All:23
Single:15
Double:8
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:264.286
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:2.96
LogP (Chemaxon):2.03

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Descriptor Annotations

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