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Chemical ID: 6507022
Chemical ID:
6507022
Name [?]:
2-[(3-phenyl-1,2,4-oxadiazol-5-yl)sulfanyl]acetic acid
SMILES [?]:
c1ccc(cc1)c2nc(on2)SCC(=O)O
InChi [?]:
InChI=1/C10H8N2O3S/c13-8(14)6-16-10-11-9(12-15-10)7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,13,4,14,7,9,8,11,15,16,10,12/E:(2,3)(4,5)(13,14)/rA:16nCCCCCCCNCONSCCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d7s10;s9;s12;s13;d14;s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H8N2O3S |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.20295 |
Area: | 418.212 |
Solvation: | -2.25235 |
Coulombic: | -40.4533 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 236.248 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.02 |
LogP (Chemaxon): | 2.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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