Chemical ID: 7063127

CN1CCc2cccc3c2C1CN(C3)S(=O)(=O)c4ccc(cc4)[N+](=O)[O-]
Chemical ID:
7063127
Name [?]:
None
SMILES [?]:
CN1CCc2cccc3c2C1CN(C3)S(=O)(=O)c4ccc(cc4)[N+](=O)[O-]
InChi [?]:
InChI=1/C18H19N3O4S/c1-19-10-9-13-3-2-4-14-11-20(12-17(19)18(13)14)26(24,25)16-7-5-15(6-8-16)21(22)23/h2-8,17H,9-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,7,6,8,20,22,19,23,4,3,14,12,5,9,21,18,11,10,2,13,24,25,26,16,17,15/E:(5,6)(7,8)(22,23)(24,25)/CRV:21.5,26.6/rA:26cCNCCCCCCCCCCNCSOOCCCCCCN+OO-/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s2s10;s11;s12;s9s13;s13;d15;d15;s15;s18;d19;s20;d21;d18s22;s21;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H19N3O4S
All Atoms:45
Heavy Atoms:26
Chiral Atoms:3
ZAP Information [?]
Total:5.38786
Area:538.678
Solvation:-8.0791
Coulombic:-24.154
Bond Count [?]
All:29
Single:20
Double:9
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:373.427
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:2.08
LogP (Chemaxon):2.66

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