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Chemical ID: 4743605
Chemical ID:
4743605
Name [?]:
5-(2,5-difluorophenyl)amino-5-oxo-pentanoic acid
SMILES [?]:
c1cc(c(cc1F)NC(=O)CCCC(=O)O)F
InChi [?]:
InChI=1/C11H11F2NO3/c12-7-4-5-8(13)9(6-7)14-10(15)2-1-3-11(16)17/h4-6H,1-3H2,(H,14,15)(H,16,17)
InChi Info:
AuxInfo=1/1/N:12,11,13,1,2,5,6,3,4,9,14,7,17,8,10,15,16/E:(16,17)/rA:17nCCCCCCFNCOCCCCOOF/rB:s1;d2;s3;d4;d1s5;s6;s4;s8;d9;s9;s11;s12;s13;d14;s14;s3;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H11F2NO3 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.64709 |
Area: | 415.835 |
Solvation: | -4.74879 |
Coulombic: | -51.6629 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 243.207 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.33 |
LogP (Chemaxon): | 1.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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