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Chemical ID: 6670155
Chemical ID:
6670155
Name [?]:
2-amino-3-(2-hydroxy-5-methyl-phenyl)-propanoic acid
SMILES [?]:
Cc1ccc(c(c1)CC(C(=O)O)N)O
InChi [?]:
InChI=1/C10H13NO3/c1-6-2-3-9(12)7(4-6)5-8(11)10(13)14/h2-4,8,12H,5,11H2,1H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,3,4,7,8,2,6,9,5,10,13,14,11,12/E:(13,14)/rA:14cCCCCCCCCCCOONO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s9;s5;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H13NO3 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.20357 |
Area: | 363.749 |
Solvation: | -2.89015 |
Coulombic: | -54.9653 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 195.215 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 4 |
XLogP: | -1.35 |
LogP (Chemaxon): | -0.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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