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Chemical ID: 6282546
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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