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Chemical ID: 4260473
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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