Chemical ID: 4262101

c1c2cc(nc(c2c(nc1O)O)O)O
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

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Descriptor Annotations

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