Chemical ID: 7171946

c1cc(c(cc1NC(=O)C(=O)O)F)F
Chemical ID:
7171946
Name [?]:
2-(3,4-difluorophenyl)amino-2-oxo-acetic acid
SMILES [?]:
c1cc(c(cc1NC(=O)C(=O)O)F)F
InChi [?]:
InChI=1/C8H5F2NO3/c9-5-2-1-4(3-6(5)10)11-7(12)8(13)14/h1-3H,(H,11,12)(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,5,6,3,4,8,10,14,13,7,9,11,12/E:(13,14)/rA:14nCCCCCCNCOCOOFF/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;d10;s10;s4;s3;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H5F2NO3
All Atoms:19
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:4.60176
Area:340.746
Solvation:-3.9169
Coulombic:-58.2042
Bond Count [?]
All:14
Single:9
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:201.127
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:0.99
LogP (Chemaxon):1.58

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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