Chemical ID: 5171886

c1ccc(cc1)c2nnc3n2nc(o3)c4ccco4
Chemical ID:
5171886
Name [?]:
3-(2-furyl)-6-phenyl-2-oxa-4,5,7,8-tetrazabicyclo[3.3.0]octa-3,6,8-triene
SMILES [?]:
c1ccc(cc1)c2nnc3n2nc(o3)c4ccco4
InChi [?]:
InChI=1/C13H8N4O2/c1-2-5-9(6-3-1)11-14-15-13-17(11)16-12(19-13)10-7-4-8-18-10/h1-8H
InChi Info:
AuxInfo=1/0/N:1,2,6,17,3,5,16,18,4,15,7,13,10,8,9,12,11,19,14/E:(2,3)(5,6)/rA:19nCCCCCCCNNCNNCOCCCCO/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;d9;s7s10;s11;d12;s10s13;s13;d15;s16;d17;s15s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H8N4O2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.88731
Area:430.47
Solvation:-1.87444
Coulombic:-32.5688
Bond Count [?]
All:22
Single:14
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:252.228
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.91
LogP (Chemaxon):2.33

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