Chemical ID: 5756598

c1cc(ccc1NC(=O)CCCC(=O)O)OC(F)(F)F
Chemical ID:
5756598
Name [?]:
5-oxo-5-[4-(trifluoromethoxy)phenyl]amino-pentanoic acid
SMILES [?]:
c1cc(ccc1NC(=O)CCCC(=O)O)OC(F)(F)F
InChi [?]:
InChI=1/C12H12F3NO4/c13-12(14,15)20-9-6-4-8(5-7-9)16-10(17)2-1-3-11(18)19/h4-7H,1-3H2,(H,16,17)(H,18,19)
InChi Info:
AuxInfo=1/1/N:11,10,12,1,5,2,4,6,3,8,13,17,18,19,20,7,9,14,15,16/E:(4,5)(6,7)(13,14,15)(18,19)/rA:20nCCCCCCNCOCCCCOOOCFFF/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;s11;s12;d13;s13;s3;s16;s17;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H12F3NO4
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:7.639
Area:458.844
Solvation:-3.83209
Coulombic:-76.5203
Bond Count [?]
All:20
Single:15
Double:5
Rotors:8
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:291.223
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.17
LogP (Chemaxon):2.22

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Descriptor Annotations

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