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Chemical ID: 4262101
Chemical ID:
4262101
Name [?]:
[2,7]naphthyridine-1,3,6,8-tetrol
SMILES [?]:
c1c2cc(nc(c2c(nc1O)O)O)O
InChi [?]:
InChI=1/C8H6N2O4/c11-4-1-3-2-5(12)10-8(14)6(3)7(13)9-4/h1-2H,(H2,9,11,13)(H2,10,12,14)
InChi Info:
AuxInfo=1/1/N:1,3,2,10,4,7,8,6,9,5,11,14,12,13/E:(1,2)(4,5)(7,8)(9,10)(11,12)(13,14)/gE:(1,2)/rA:14nCCCCNCCCNCOOOO/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;d1s9;s10;s8;s6;s4;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H6N2O4 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 2.8754 |
Area: | 333.12 |
Solvation: | -5.45261 |
Coulombic: | -73.676 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 194.144 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 4 |
XLogP: | 0.8 |
LogP (Chemaxon): | 2.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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