Chemical ID: 7063122

c1ccc(cc1)S(=O)(=O)N2CCc3cccc4c3C2CC4
Chemical ID:
7063122
Name [?]:
None
SMILES [?]:
c1ccc(cc1)S(=O)(=O)N2CCc3cccc4c3C2CC4
InChi [?]:
InChI=1/C17H17NO2S/c19-21(20,15-7-2-1-3-8-15)18-12-11-14-6-4-5-13-9-10-16(18)17(13)14/h1-8,16H,9-12H2
InChi Info:
AuxInfo=1/0/N:1,2,6,15,16,14,3,5,21,20,12,11,17,13,4,19,18,10,8,9,7/E:(2,3)(7,8)(19,20)/CRV:21.6/rA:21cCCCCCCSOONCCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;d7;s7;s10;s11;s12;s13;d14;s15;d16;d13s17;s10s18;s19;s17s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H17NO2S
All Atoms:38
Heavy Atoms:21
Chiral Atoms:2
ZAP Information [?]
Total:8.96465
Area:435.839
Solvation:-1.93133
Coulombic:-9.88351
Bond Count [?]
All:24
Single:16
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:299.388
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.97
LogP (Chemaxon):3.38

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