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Chemical ID: 4727319
Chemical ID:
4727319
Name [?]:
6-morpholinopyridine-3-carboxylic acid
SMILES [?]:
c1cc(ncc1C(=O)O)N2CCOCC2
InChi [?]:
InChI=1/C10H12N2O3/c13-10(14)8-1-2-9(11-7-8)12-3-5-15-6-4-12/h1-2,7H,3-6H2,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,11,15,12,14,5,6,3,7,4,10,8,9,13/E:(3,4)(5,6)(13,14)/rA:15nCCCNCCCOONCCOCC/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s3;s10;s11;s12;s13;s10s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H12N2O3 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.85075 |
Area: | 372.218 |
Solvation: | -3.4547 |
Coulombic: | -46.586 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 208.214 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 0.92 |
LogP (Chemaxon): | -1.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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