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Chemical ID: 5871600
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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