Chemical ID: 7063112

c1ccc(c(c1)[N+](=O)[O-])S(=O)(=O)N2CCc3cccc4c3C2CC4
Chemical ID:
7063112
Name [?]:
None
SMILES [?]:
c1ccc(c(c1)[N+](=O)[O-])S(=O)(=O)N2CCc3cccc4c3C2CC4
InChi [?]:
InChI=1/C17H16N2O4S/c20-19(21)14-6-1-2-7-16(14)24(22,23)18-11-10-13-5-3-4-12-8-9-15(18)17(12)13/h1-7,15H,8-11H2
InChi Info:
AuxInfo=1/0/N:1,2,18,19,17,6,3,24,23,15,14,20,16,5,22,4,21,13,7,8,9,11,12,10/E:(20,21)(22,23)/CRV:19.5,24.6/rA:24cCCCCCCN+OO-SOONCCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4;d10;d10;s10;s13;s14;s15;s16;d17;s18;d19;d16s20;s13s21;s22;s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16N2O4S
All Atoms:40
Heavy Atoms:24
Chiral Atoms:2
ZAP Information [?]
Total:2.5623
Area:462.312
Solvation:-8.9955
Coulombic:-16.979
Bond Count [?]
All:27
Single:18
Double:9
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:344.386
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:2.74
LogP (Chemaxon):3.33

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