Chemical ID: 7433150

CN(C)c1ccc(cc1)c2nc(on2)CCC(=O)O
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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