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Chemical ID: 4777540
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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