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Chemical ID: 5184277
Chemical ID:
5184277
Name [?]:
6-phenylsulfonyloxypyridazin-3-ol
SMILES [?]:
c1ccc(cc1)S(=O)(=O)Oc2ccc(nn2)O
InChi [?]:
InChI=1/C10H8N2O4S/c13-9-6-7-10(12-11-9)16-17(14,15)8-4-2-1-3-5-8/h1-7H,(H,11,13)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,13,12,4,14,11,15,16,17,8,9,10,7/E:(2,3)(4,5)(14,15)/CRV:17.6/rA:17nCCCCCCSOOOCCCCNNO/rB:s1;d2;s3;d4;d1s5;s4;d7;d7;s7;s10;s11;d12;s13;d14;d11s15;s14;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H8N2O4S |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.2325 |
Area: | 387.602 |
Solvation: | -3.45754 |
Coulombic: | -30.0524 |
Bond Count [?]
All: | 18 |
Single: | 10 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 252.248 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.95 |
LogP (Chemaxon): | 1.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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