Chemical ID: 6494218

c1ccc(cc1)S(=NC(=O)c2ccco2)c3ccccc3
Chemical ID:
6494218
Name [?]:
None
SMILES [?]:
c1ccc(cc1)S(=NC(=O)c2ccco2)c3ccccc3
InChi [?]:
InChI=1/C17H13NO2S/c19-17(16-12-7-13-20-16)18-21(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-13H
InChi Info:
AuxInfo=1/0/N:1,19,2,6,18,20,13,3,5,17,21,12,14,4,16,11,9,8,10,15,7/E:(1,2)(3,4,5,6)(8,9,10,11)(14,15)/rA:21nCCCCCCSNCOCCCCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;d9;s9;d11;s12;d13;s11s14;s7;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H13NO2S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.67577
Area:480.311
Solvation:-2.33201
Coulombic:-26.8425
Bond Count [?]
All:23
Single:13
Double:10
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:295.357
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.36
LogP (Chemaxon):3.23

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