Chemical ID: 4727319

c1cc(ncc1C(=O)O)N2CCOCC2
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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Descriptor Annotations

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