Chemical ID: 5871600

c1cc(ncc1C(=O)O)N2CCCC2
Chemical ID:
5871600
Name [?]:
6-pyrrolidin-1-ylpyridine-3-carboxylic acid
SMILES [?]:
c1cc(ncc1C(=O)O)N2CCCC2
InChi [?]:
InChI=1/C10H12N2O2/c13-10(14)8-3-4-9(11-7-8)12-5-1-2-6-12/h3-4,7H,1-2,5-6H2,(H,13,14)
InChi Info:
AuxInfo=1/1/N:12,13,1,2,11,14,5,6,3,7,4,10,8,9/E:(1,2)(5,6)(13,14)/rA:14nCCCNCCCOONCCCC/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s3;s10;s11;s12;s10s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H12N2O2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:6.95755
Area:358.551
Solvation:-2.00622
Coulombic:-38.7223
Bond Count [?]
All:15
Single:11
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:192.215
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.83
LogP (Chemaxon):-0.49

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