Chemical ID: 5184277

c1ccc(cc1)S(=O)(=O)Oc2ccc(nn2)O
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue