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Chemical ID: 5116928
Chemical ID:
5116928
Name [?]:
3-(5-sulfanyl-1,3,4-oxadiazol-2-yl)phenol
SMILES [?]:
c1cc(cc(c1)O)c2nnc(o2)S
InChi [?]:
InChI=1/C8H6N2O2S/c11-6-3-1-2-5(4-6)7-9-10-8(13)12-7/h1-4,11H,(H,10,13)
InChi Info:
AuxInfo=1/1/N:1,2,6,4,3,5,8,11,9,10,7,12,13/rA:13nCCCCCCOCNNCOS/rB:s1;d2;s3;d4;d1s5;s5;s3;d8;s9;d10;s8s11;s11;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H6N2O2S |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.90804 |
Area: | 357.356 |
Solvation: | -2.02586 |
Coulombic: | -32.8594 |
Bond Count [?]
All: | 14 |
Single: | 9 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 194.212 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 2.87 |
LogP (Chemaxon): | 1.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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