Chemical ID: 4743605

c1cc(c(cc1F)NC(=O)CCCC(=O)O)F
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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