Chemical ID: 6245648

c1ccc(c(c1)C(=O)Nc2nnc(o2)C3=COCCO3)F
Chemical ID:
6245648
Name [?]:
N-[5-(5,6-dihydro-1,4-dioxin-2-yl)-1,3,4-oxadiazol-2-yl]-2-fluoro-benzamide
SMILES [?]:
c1ccc(c(c1)C(=O)Nc2nnc(o2)C3=COCCO3)F
InChi [?]:
InChI=1/C13H10FN3O4/c14-9-4-2-1-3-8(9)11(18)15-13-17-16-12(21-13)10-7-19-5-6-20-10/h1-4,7H,5-6H2,(H,15,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,18,19,16,5,4,15,7,13,10,21,9,12,11,8,17,20,14/rA:21nCCCCCCCONCNNCOCCOCCOF/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;d10;s11;d12;s10s13;s13;d15;s16;s17;s18;s15s19;s4;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H10FN3O4
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:5.86642
Area:463.11
Solvation:-5.71132
Coulombic:-54.8702
Bond Count [?]
All:23
Single:16
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:291.235
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.1
LogP (Chemaxon):0.08

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Descriptor Annotations

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