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Chemical ID: 7089058

Chemical ID:

7089058

Name [?]:

2-(3,4-dimethylphenyl)amino-2-(2-thienyl)acetic acid

SMILES [?]:

Cc1ccc(cc1C)NC(c2cccs2)C(=O)O

InChi [?]:

InChI=1/C14H15NO2S/c1-9-5-6-11(8-10(9)2)15-13(14(16)17)12-4-3-7-18-12/h3-8,13,15H,1-2H3,(H,16,17)

InChi Info:

AuxInfo=1/1/N:1,8,13,12,3,4,14,6,2,7,5,11,10,16,9,17,18,15/E:(16,17)/rA:18cCCCCCCCCNCCCCCSCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;s10;d11;s12;d13;s11s14;s10;d16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₅NO₂S
All Atoms:	33
Heavy Atoms:	18
Chiral Atoms:	1

ZAP Information [?]

Total:	8.766
Area:	451.999
Solvation:	-2.53396
Coulombic:	-40.6416

Bond Count [?]

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

Chemical Properties

Molecular Weight:	261.34
H-Bond Donors:	2
H-Bond Acceptors:	3
XLogP:	2.56
LogP (Chemaxon):	3.48

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value