Chemical ID: 6215990

c1cc(ccc1C(=O)Nc2nc3ccc(cc3s2)[N+](=O)[O-])[N+](=O)[O-]
Chemical ID:
6215990
Name [?]:
4-nitro-N-(6-nitrobenzothiazol-2-yl)-benzamide
SMILES [?]:
c1cc(ccc1C(=O)Nc2nc3ccc(cc3s2)[N+](=O)[O-])[N+](=O)[O-]
InChi [?]:
InChI=1/C14H8N4O5S/c19-13(8-1-3-9(4-2-8)17(20)21)16-14-15-11-6-5-10(18(22)23)7-12(11)24-14/h1-7H,(H,15,16,19)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,14,13,16,6,3,15,12,17,7,10,11,9,22,19,8,23,24,20,21,18/E:(1,2)(3,4)(20,21)(22,23)/CRV:17.5,18.5/rA:24nCCCCCCCONCNCCCCCCSN+OO-N+OO-/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;d10;s11;s12;d13;s14;d15;d12s16;s10s17;s15;d19;s19;s3;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H8N4O5S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:-0.599925
Area:539.486
Solvation:-14.0871
Coulombic:-47.8956
Bond Count [?]
All:26
Single:16
Double:10
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:344.303
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:2.44
LogP (Chemaxon):4.04

Name Annotations

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Descriptor Annotations

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