Chemical ID: 4121130

Cc1ccc(cc1C(C(=O)O)N)F
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue