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Chemical ID: 7266543

Chemical ID:

7266543

Name [?]:

4-[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]butanoic acid

SMILES [?]:

Cc1ccc(cc1)c2nc(on2)CCCC(=O)O

InChi [?]:

InChI=1/C13H14N2O3/c1-9-5-7-10(8-6-9)13-14-11(18-15-13)3-2-4-12(16)17/h5-8H,2-4H2,1H3,(H,16,17)

InChi Info:

AuxInfo=1/1/N:1,14,13,15,3,7,4,6,2,5,10,16,8,9,12,17,18,11/E:(5,6)(7,8)(16,17)/rA:18nCCCCCCCCNCONCCCCOO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d8s11;s10;s13;s14;s15;d16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₃H₁₄N₂O₃
All Atoms:	32
Heavy Atoms:	18
Chiral Atoms:	0

ZAP Information [?]

Total:	8.66193
Area:	456.384
Solvation:	-2.74768
Coulombic:	-37.8228

Bond Count [?]

All:	19
Single:	13
Double:	6
Rotors:	5
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	246.262
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	2.55
LogP (Chemaxon):	2.72

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value