Chemical ID: 6282336

c1cc(cc(c1)[N+](=O)[O-])C(=O)Nc2nnc(o2)c3ccc(cc3)F
Chemical ID:
6282336
Name [?]:
N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-nitro-benzamide
SMILES [?]:
c1cc(cc(c1)[N+](=O)[O-])C(=O)Nc2nnc(o2)c3ccc(cc3)F
InChi [?]:
InChI=1/C15H9FN4O4/c16-11-6-4-9(5-7-11)14-18-19-15(24-14)17-13(21)10-2-1-3-12(8-10)20(22)23/h1-8H,(H,17,19,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,19,23,20,22,4,18,3,21,5,10,16,13,24,12,15,14,7,11,8,9,17/E:(4,5)(6,7)(22,23)/CRV:20.5/rA:24nCCCCCCN+OO-CONCNNCOCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s3;d10;s10;s12;d13;s14;d15;s13s16;s16;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H9FN4O4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:3.9238
Area:522.582
Solvation:-9.14074
Coulombic:-51.0643
Bond Count [?]
All:26
Single:16
Double:10
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:328.255
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.28
LogP (Chemaxon):2.96

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Descriptor Annotations

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