Chemical ID: 4516697

c1ccc2c(c1)Nc3c(nc4c(n3)non4)N2
Chemical ID:
4516697
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)Nc3c(nc4c(n3)non4)N2
InChi [?]:
InChI=1/C10H6N6O/c1-2-4-6-5(3-1)11-7-8(12-6)14-10-9(13-7)15-17-16-10/h1-4H,(H,11,13,15)(H,12,14,16)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,4,8,9,12,11,7,17,13,10,14,16,15/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/gE:(1,2)/rA:17nCCCCCCNCCNCCNNONN/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s10;s11;d8s12;d12;s14;d11s15;s4s9;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H6N6O
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.91088
Area:368.442
Solvation:-1.30017
Coulombic:-41.0468
Bond Count [?]
All:20
Single:13
Double:7
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:226.194
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:3.55
LogP (Chemaxon):1.84

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