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Chemical ID: 5098166
Chemical ID:
5098166
Name [?]:
2-amino-2-(5-methyl-2-thienyl)-acetic acid
SMILES [?]:
Cc1ccc(s1)C(C(=O)O)N
InChi [?]:
InChI=1/C7H9NO2S/c1-4-2-3-5(11-4)6(8)7(9)10/h2-3,6H,8H2,1H3,(H,9,10)
InChi Info:
AuxInfo=1/1/N:1,3,4,2,5,7,8,11,9,10,6/E:(9,10)/rA:11cCCCCCSCCOON/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s8;s7;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H9NO2S |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.30518 |
Area: | 330.768 |
Solvation: | -1.96402 |
Coulombic: | -39.9058 |
Bond Count [?]
All: | 11 |
Single: | 8 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 171.218 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | -2.86 |
LogP (Chemaxon): | -1.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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