Chemical ID: 4756193

c1cc(ccc1NC(=O)CCCC(=O)O)OC(F)F
Chemical ID:
4756193
Name [?]:
5-[4-(difluoromethoxy)phenyl]amino-5-oxo-pentanoic acid
SMILES [?]:
c1cc(ccc1NC(=O)CCCC(=O)O)OC(F)F
InChi [?]:
InChI=1/C12H13F2NO4/c13-12(14)19-9-6-4-8(5-7-9)15-10(16)2-1-3-11(17)18/h4-7,12H,1-3H2,(H,15,16)(H,17,18)
InChi Info:
AuxInfo=1/1/N:11,10,12,1,5,2,4,6,3,8,13,17,18,19,7,9,14,15,16/E:(4,5)(6,7)(13,14)(17,18)/rA:19nCCCCCCNCOCCCCOOOCFF/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;s11;s12;d13;s13;s3;s16;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H13F2NO4
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:5.98902
Area:451.609
Solvation:-5.3012
Coulombic:-63.6644
Bond Count [?]
All:19
Single:14
Double:5
Rotors:8
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:273.233
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:1.63
LogP (Chemaxon):2.16

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Descriptor Annotations

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