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Chemical ID: 7089972
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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