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Chemical ID: 6282336
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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