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Chemical ID: 4687463
Chemical ID:
4687463
Name [?]:
2-(2-phenylsulfonyloxyphenyl)-1,3,4-oxadiazole
SMILES [?]:
c1ccc(cc1)S(=O)(=O)Oc2ccccc2c3nnco3
InChi [?]:
InChI=1/C14H10N2O4S/c17-21(18,11-6-2-1-3-7-11)20-13-9-5-4-8-12(13)14-16-15-10-19-14/h1-10H
InChi Info:
AuxInfo=1/0/N:1,2,6,14,13,3,5,15,12,20,4,16,11,17,19,18,8,9,21,10,7/E:(2,3)(6,7)(17,18)/CRV:21.6/rA:21nCCCCCCSOOOCCCCCCCNNCO/rB:s1;d2;s3;d4;d1s5;s4;d7;d7;s7;s10;s11;d12;s13;d14;d11s15;s16;d17;s18;d19;s17s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H10N2O4S |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.84018 |
Area: | 436.317 |
Solvation: | -3.06775 |
Coulombic: | -22.6471 |
Bond Count [?]
All: | 23 |
Single: | 13 |
Double: | 10 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 302.306 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.85 |
LogP (Chemaxon): | 2.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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