Chemical ID: 6209855

c1cc(sc1)c2nc(on2)CCC(=O)Nc3ccc(c(c3)Cl)F
Chemical ID:
6209855
Name [?]:
N-(3-chloro-4-fluoro-phenyl)-3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]-propanamide
SMILES [?]:
c1cc(sc1)c2nc(on2)CCC(=O)Nc3ccc(c(c3)Cl)F
InChi [?]:
InChI=1/C15H11ClFN3O2S/c16-10-8-9(3-4-11(10)17)18-13(21)5-6-14-19-15(20-22-14)12-2-1-7-23-12/h1-4,7-8H,5-6H2,(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,2,17,18,12,11,5,21,16,20,19,3,13,8,6,22,23,15,7,10,14,9,4/rA:23nCCCSCCNCONCCCONCCCCCCClF/rB:s1;d2;s3;d1s4;s3;s6;d7;s8;d6s9;s8;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H11ClFN3O2S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.2118
Area:552.837
Solvation:-3.60917
Coulombic:-35.2852
Bond Count [?]
All:25
Single:17
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:351.784
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.92
LogP (Chemaxon):3.47

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Descriptor Annotations

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