Chemical ID: 6705505

c1cc(ccc1c2ccc(n2CC(=O)[O-])CCC(=O)[O-])F
Chemical ID:
6705505
Name [?]:
3-[1-(carboxylatomethyl)-5-(4-fluorophenyl)-pyrrol-2-yl]propanoate
SMILES [?]:
c1cc(ccc1c2ccc(n2CC(=O)[O-])CCC(=O)[O-])F
InChi [?]:
InChI=1/C15H14FNO4/c16-11-3-1-10(2-4-11)13-7-5-12(6-8-14(18)19)17(13)9-15(20)21/h1-5,7H,6,8-9H2,(H,18,19)(H,20,21)/p-2
InChi Info:
AuxInfo=1/1/N:1,5,2,4,9,16,8,17,12,6,3,10,7,18,13,21,11,19,20,14,15/E:(1,2)(3,4)(18,19)(20,21)/rA:21nCCCCCCCCCCNCCOO-CCCOO-F/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;d9;s7s10;s11;s12;d13;s13;s10;s16;s17;d18;s18;s3;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H12FNO4-2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:-102.33
Area:461.812
Solvation:-113.875
Coulombic:20.1872
Bond Count [?]
All:22
Single:15
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:289.259
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:1.26
LogP (Chemaxon):2.08

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Descriptor Annotations

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