Chemical ID: 4777540

c1cc(c(cc1F)F)NC(=O)CCC(=O)O
Chemical ID:
4777540
Name [?]:
4-(2,4-difluorophenyl)amino-4-oxo-butanoic acid
SMILES [?]:
c1cc(c(cc1F)F)NC(=O)CCC(=O)O
InChi [?]:
InChI=1/C10H9F2NO3/c11-6-1-2-8(7(12)5-6)13-9(14)3-4-10(15)16/h1-2,5H,3-4H2,(H,13,14)(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,2,12,13,5,6,4,3,10,14,7,8,9,11,15,16/E:(15,16)/rA:16nCCCCCCFFNCOCCCOO/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;s9;d10;s10;s12;s13;d14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H9F2NO3
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:5.65431
Area:388.542
Solvation:-4.05924
Coulombic:-51.6373
Bond Count [?]
All:16
Single:11
Double:5
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:229.18
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:0.97
LogP (Chemaxon):0.79

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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