Chemical ID: 4101404

c1cc(ccc1c2ccc(n2CC(=O)O)CCC(=O)O)F
Chemical ID:
4101404
Name [?]:
3-[1-(carboxymethyl)-5-(4-fluorophenyl)-pyrrol-2-yl]propanoic acid
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)
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:21nCCCCCCCCCCNCCOOCCCOOF/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:C15H14FNO4
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:7.26297
Area:466.168
Solvation:-4.39122
Coulombic:-61.7318
Bond Count [?]
All:22
Single:15
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:291.274
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.23
LogP (Chemaxon):2.08

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue