Chemical ID: 4260473

CC(c1ccncc1)(C(C)(c2ccncc2)O)O
Chemical ID:
4260473
Name [?]:
2,3-bis(4-pyridyl)butane-2,3-diol
SMILES [?]:
CC(c1ccncc1)(C(C)(c2ccncc2)O)O
InChi [?]:
InChI=1/C14H16N2O2/c1-13(17,11-3-7-15-8-4-11)14(2,18)12-5-9-16-10-6-12/h3-10,17-18H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,4,8,12,16,5,7,13,15,3,11,2,9,6,14,18,17/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(15,16)(17,18)/rA:18cCCCCCNCCCCCCCNCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;s9;s11;d12;s13;d14;d11s15;s9;s2;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H16N2O2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:2
ZAP Information [?]
Total:6.23035
Area:394.796
Solvation:-3.63954
Coulombic:-43.8869
Bond Count [?]
All:19
Single:13
Double:6
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:244.289
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:0.13
LogP (Chemaxon):0.52

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Descriptor Annotations

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