Chemical ID: 7215136

Cc1c2c3nc(nn3cnc2sc1C(=O)OC)c4c(cn(n4)C)[N+](=O)[O-]
Chemical ID:
7215136
Name [?]:
None
SMILES [?]:
Cc1c2c3nc(nn3cnc2sc1C(=O)OC)c4c(cn(n4)C)[N+](=O)[O-]
InChi [?]:
InChI=1/C14H11N7O4S/c1-6-8-12-16-11(9-7(21(23)24)4-19(2)17-9)18-20(12)5-15-13(8)26-10(6)14(22)25-3/h4-5H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,23,17,20,9,2,19,3,18,13,6,4,11,14,10,5,22,7,21,8,24,15,25,26,16,12/E:(23,24)/CRV:21.5/rA:26nCCCCNCNNCNCSCCOOCCCCNNCN+OO-/rB:s1;s2;s3;d4;s5;d6;s4s7;s8;d9;d3s10;s11;d2s12;s13;d14;s14;s16;s6;s18;d19;s20;d18s21;s21;s19;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H11N7O4S
All Atoms:37
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:4.99266
Area:543.758
Solvation:-8.60127
Coulombic:-52.3026
Bond Count [?]
All:29
Single:20
Double:9
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:373.348
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:0.83
LogP (Chemaxon):2.01

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Descriptor Annotations

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