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Chemical ID: 4516697
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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