Chemical ID: 6282546

COc1cccc(c1)c2nnc(o2)NC(=O)c3cccc(c3)[N+](=O)[O-]
Chemical ID:
6282546
Name [?]:
N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-nitro-benzamide
SMILES [?]:
COc1cccc(c1)c2nnc(o2)NC(=O)c3cccc(c3)[N+](=O)[O-]
InChi [?]:
InChI=1/C16H12N4O5/c1-24-13-7-3-5-11(9-13)15-18-19-16(25-15)17-14(21)10-4-2-6-12(8-10)20(22)23/h2-9H,1H3,(H,17,19,21)
InChi Info:
AuxInfo=1/1/N:1,19,5,18,6,20,4,22,8,17,7,21,3,15,9,12,14,10,11,23,16,24,25,2,13/E:(22,23)/CRV:20.5/rA:25nCOCCCCCCCNNCONCOCCCCCCN+OO-/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s10;d11;s9s12;s12;s14;d15;s15;s17;d18;s19;d20;d17s21;s21;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H12N4O5
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:3.83708
Area:551.155
Solvation:-9.94181
Coulombic:-54.0157
Bond Count [?]
All:27
Single:17
Double:10
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:340.29
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.04
LogP (Chemaxon):2.57

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