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Chemical ID: 6282380
Chemical ID:
6282380
Name [?]:
N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-(4-nitrophenyl)-prop-2-enamide
SMILES [?]:
c1cc(ccc1C=CC(=O)Nc2nnc(o2)c3ccc(cc3)F)[N+](=O)[O-]
InChi [?]:
InChI=1/C17H11FN4O4/c18-13-6-4-12(5-7-13)16-20-21-17(26-16)19-15(23)10-3-11-1-8-14(9-2-11)22(24)25/h1-10H,(H,19,21,23)
InChi Info:
AuxInfo=1/1/N:1,5,7,18,22,19,21,2,4,8,6,17,20,3,9,15,12,23,11,14,13,24,10,25,26,16/E:(1,2)(4,5)(6,7)(8,9)(24,25)/CRV:22.5/rA:26nCCCCCCCCCONCNNCOCCCCCCFN+OO-/rB:s1;d2;s3;d4;d1s5;s6;w7;s8;d9;s9;s11;d12;s13;d14;s12s15;s15;s17;d18;s19;d20;d17s21;s20;s3;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H11FN4O4 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.99313 |
Area: | 549.996 |
Solvation: | -8.75677 |
Coulombic: | -52.5469 |
Bond Count [?]
All: | 28 |
Single: | 17 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 354.292 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.56 |
LogP (Chemaxon): | 3.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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