Chemical ID: 7063116

COc1ccc(cc1)S(=O)(=O)N2CCc3cccc4c3C2CC4
Chemical ID:
7063116
Name [?]:
None
SMILES [?]:
COc1ccc(cc1)S(=O)(=O)N2CCc3cccc4c3C2CC4
InChi [?]:
InChI=1/C18H19NO3S/c1-22-15-6-8-16(9-7-15)23(20,21)19-12-11-14-4-2-3-13-5-10-17(19)18(13)14/h2-4,6-9,17H,5,10-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,17,18,16,23,4,8,5,7,22,14,13,19,15,3,6,21,20,12,10,11,2,9/E:(6,7)(8,9)(20,21)/CRV:23.6/rA:23cCOCCCCCCSOONCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;d9;s9;s12;s13;s14;s15;d16;s17;d18;d15s19;s12s20;s21;s19s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H19NO3S
All Atoms:42
Heavy Atoms:23
Chiral Atoms:2
ZAP Information [?]
Total:8.5897
Area:475.93
Solvation:-3.30854
Coulombic:-15.7208
Bond Count [?]
All:26
Single:18
Double:8
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:329.414
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.89
LogP (Chemaxon):3.13

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Descriptor Annotations

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