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Chemical ID: 4121130
Chemical ID:
4121130
Name [?]:
2-amino-2-(5-fluoro-2-methyl-phenyl)-acetic acid
SMILES [?]:
Cc1ccc(cc1C(C(=O)O)N)F
InChi [?]:
InChI=1/C9H10FNO2/c1-5-2-3-6(10)4-7(5)8(11)9(12)13/h2-4,8H,11H2,1H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,3,4,6,2,5,7,8,9,13,12,10,11/E:(12,13)/rA:13cCCCCCCCCCOONF/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s8;s5;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H10FNO2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 5.56066 |
Area: | 327.441 |
Solvation: | -2.62537 |
Coulombic: | -43.6201 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 183.18 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | -1.18 |
LogP (Chemaxon): | -0.79 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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