Chemical ID: 6738565

COc1cccc(c1)[N-]S(=O)(=O)c2ccc[nH+]c2
Chemical ID:
6738565
Name [?]:
(3-methoxyphenyl)-(1H-pyridin-5-ylsulfonyl)azanide
SMILES [?]:
COc1cccc(c1)[N-]S(=O)(=O)c2ccc[nH+]c2
InChi [?]:
InChI=1/C12H11N2O3S/c1-17-11-5-2-4-10(8-11)14-18(15,16)12-6-3-7-13-9-12/h2-9H,1H3/q-1/p+1
InChi Info:
AuxInfo=1/1/N:1,5,15,6,4,14,16,8,18,7,3,13,17,9,11,12,2,10/E:(15,16)/CRV:14-1,18.6/rA:18nCOCCCCCCN-SOOCCCCN+C/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H12N2O3S
All Atoms:30
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:-26.2473
Area:433.54
Solvation:-37.0858
Coulombic:-4.4495
Bond Count [?]
All:19
Single:11
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:264.301
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:1.22
LogP (Chemaxon):1.04

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