Chemical ID: 6699733

c1cc[nH+]c(c1)C(CO)(CO)CO
Chemical ID:
6699733
Name [?]:
2-(hydroxymethyl)-2-(1H-pyridin-2-yl)propane-1,3-diol
SMILES [?]:
c1cc[nH+]c(c1)C(CO)(CO)CO
InChi [?]:
InChI=1/C9H13NO3/c11-5-9(6-12,7-13)8-3-1-2-4-10-8/h1-4,11-13H,5-7H2/p+1
InChi Info:
AuxInfo=1/1/N:1,2,6,3,8,10,12,5,7,4,9,11,13/E:(5,6,7)(11,12,13)/rA:13nCCCN+CCCCOCOCO/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s7;s10;s7;s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H14NO3+
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:-25.6046
Area:341.817
Solvation:-34.1501
Coulombic:-42.0474
Bond Count [?]
All:13
Single:10
Double:3
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:184.212
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:-1.56
LogP (Chemaxon):-0.25

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Descriptor Annotations

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