Chemical ID: 4703869

c1cc(ccc1C(=O)N2CC(CC2C(=O)O)O)F
Chemical ID:
4703869
Name [?]:
1-(4-fluorobenzoyl)-4-hydroxy-pyrrolidine-2-carboxylic acid
SMILES [?]:
c1cc(ccc1C(=O)N2CC(CC2C(=O)O)O)F
InChi [?]:
InChI=1/C12H12FNO4/c13-8-3-1-7(2-4-8)11(16)14-6-9(15)5-10(14)12(17)18/h1-4,9-10,15H,5-6H2,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,12,10,6,3,11,13,7,14,18,9,17,8,15,16/E:(1,2)(3,4)(17,18)/rA:18cCCCCCCCONCCCCCOOOF/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;s11;s9s12;s13;d14;s14;s11;s3;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H12FNO4
All Atoms:18
Heavy Atoms:18
Chiral Atoms:2
ZAP Information [?]
Total:4.86543
Area:403.08
Solvation:-5.21157
Coulombic:-63.1734
Bond Count [?]
All:19
Single:14
Double:5
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:253.226
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:0.69
LogP (Chemaxon):0.57

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Descriptor Annotations

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