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Chemical ID: 7433150
Chemical ID:
7433150
Name [?]:
3-[3-(4-dimethylaminophenyl)-1,2,4-oxadiazol-5-yl]propanoic acid
SMILES [?]:
CN(C)c1ccc(cc1)c2nc(on2)CCC(=O)O
InChi [?]:
InChI=1/C13H15N3O3/c1-16(2)10-5-3-9(4-6-10)13-14-11(19-15-13)7-8-12(17)18/h3-6H,7-8H2,1-2H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,3,6,8,5,9,15,16,7,4,12,17,10,11,14,2,18,19,13/E:(1,2)(3,4)(5,6)(17,18)/rA:19nCNCCCCCCCCNCONCCCOO/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s12;d10s13;s12;s15;s16;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H15N3O3 |
All Atoms: | 34 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.81722 |
Area: | 471.775 |
Solvation: | -2.97716 |
Coulombic: | -42.915 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 261.277 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.97 |
LogP (Chemaxon): | 1.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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