Chemical ID: 7089972

COc1ccccc1NC(c2cccs2)C(=O)O
Chemical ID:
7089972
Name [?]:
2-(2-methoxyphenyl)amino-2-(2-thienyl)acetic acid
SMILES [?]:
COc1ccccc1NC(c2cccs2)C(=O)O
InChi [?]:
InChI=1/C13H13NO3S/c1-17-10-6-3-2-5-9(10)14-12(13(15)16)11-7-4-8-18-11/h2-8,12,14H,1H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,6,5,13,7,4,12,14,8,3,11,10,16,9,17,18,2,15/E:(15,16)/rA:18cCOCCCCCCNCCCCCSCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;d11;s12;d13;s11s14;s10;d16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H13NO3S
All Atoms:31
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:7.05706
Area:444.133
Solvation:-4.04627
Coulombic:-47.8943
Bond Count [?]
All:19
Single:13
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:263.313
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.6
LogP (Chemaxon):1.85

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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