Chemical ID: 5849129

c1ccc(cc1)c2nc(on2)Cc3ccc(cc3)[N+](=O)[O-]
Chemical ID:
5849129
Name [?]:
5-[(4-nitrophenyl)methyl]-3-phenyl-1,2,4-oxadiazole
SMILES [?]:
c1ccc(cc1)c2nc(on2)Cc3ccc(cc3)[N+](=O)[O-]
InChi [?]:
InChI=1/C15H11N3O3/c19-18(20)13-8-6-11(7-9-13)10-14-16-15(17-21-14)12-4-2-1-3-5-12/h1-9H,10H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,14,18,15,17,12,13,4,16,9,7,8,11,19,20,21,10/E:(2,3)(4,5)(6,7)(8,9)(19,20)/CRV:18.5/rA:21nCCCCCCCNCONCCCCCCCN+OO-/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d7s10;s9;s12;s13;d14;s15;d16;d13s17;s16;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H11N3O3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:4.95856
Area:483.705
Solvation:-7.13406
Coulombic:-25.6421
Bond Count [?]
All:23
Single:14
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:281.266
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.68
LogP (Chemaxon):3.86

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Descriptor Annotations

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