Chemical ID: 4603690

Cc1nc-2c(n1O)CCc3c2non3
Chemical ID:
4603690
Name [?]:
None
SMILES [?]:
Cc1nc-2c(n1O)CCc3c2non3
InChi [?]:
InChI=1/C8H8N4O2/c1-4-9-8-6(12(4)13)3-2-5-7(8)11-14-10-5/h13H,2-3H2,1H3
InChi Info:
AuxInfo=1/0/N:1,9,8,2,10,5,11,4,3,14,12,6,7,13/rA:14nCCNCCNOCCCCNON/rB:s1;d2;s3;d4;s2s5;s6;s5;s8;s9;s4s10;d11;s12;d10s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H8N4O2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:5.6762
Area:339.922
Solvation:-2.82186
Coulombic:-20.3062
Bond Count [?]
All:16
Single:12
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:192.175
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:0.22
LogP (Chemaxon):-3.87

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Experimental Annotations

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Descriptor Annotations

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