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Chemical ID: 6416953

Chemical ID:

6416953

Name [?]:

2-(2-propoxyphenyl)thiazolidine-4-carboxylic acid

SMILES [?]:

CCCOc1ccccc1C2NC(CS2)C(=O)O

InChi [?]:

InChI=1/C13H17NO3S/c1-2-7-17-11-6-4-3-5-9(11)12-14-10(8-18-12)13(15)16/h3-6,10,12,14H,2,7-8H2,1H3,(H,15,16)

InChi Info:

AuxInfo=1/1/N:1,2,8,7,9,6,3,14,10,13,5,11,16,12,17,18,4,15/E:(15,16)/rA:18cCCCOCCCCCCCNCCSCOO/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s11;s12;s13;s11s14;s13;d16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₃H₁₇NO₃S
All Atoms:	18
Heavy Atoms:	18
Chiral Atoms:	2

ZAP Information [?]

Total:	8.03615
Area:	461.991
Solvation:	-3.51363
Coulombic:	-45.0744

Bond Count [?]

All:	19
Single:	15
Double:	4
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	267.345
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	2.22
LogP (Chemaxon):	0.06

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