Chemical ID: 4687463

c1ccc(cc1)S(=O)(=O)Oc2ccccc2c3nnco3
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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