Chemical ID: 5068430

CC(=O)Oc1ccc(nn1)O
Chemical ID:
5068430
Name [?]:
(6-hydroxypyridazin-3-yl) acetate
SMILES [?]:
CC(=O)Oc1ccc(nn1)O
InChi [?]:
InChI=1/C6H6N2O3/c1-4(9)11-6-3-2-5(10)7-8-6/h2-3H,1H3,(H,7,10)
InChi Info:
AuxInfo=1/1/N:1,7,6,2,8,5,9,10,3,11,4/rA:11nCCOOCCCCNNO/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H6N2O3
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:4.30266
Area:306.251
Solvation:-3.35361
Coulombic:-37.0224
Bond Count [?]
All:11
Single:7
Double:4
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:154.124
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:0.77
LogP (Chemaxon):0.02

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Descriptor Annotations

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