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Chemical ID: 7065892
Chemical ID:
7065892
Name [?]:
5-(1-piperidylsulfonyl)pyridin-2-ol
SMILES [?]:
c1cc(ncc1S(=O)(=O)N2CCCCC2)O
InChi [?]:
InChI=1/C10H14N2O3S/c13-10-5-4-9(8-11-10)16(14,15)12-6-2-1-3-7-12/h4-5,8H,1-3,6-7H2,(H,11,13)
InChi Info:
AuxInfo=1/1/N:13,12,14,1,2,11,15,5,6,3,4,10,16,8,9,7/E:(2,3)(6,7)(14,15)/CRV:16.6/rA:16nCCCNCCSOONCCCCCO/rB:s1;d2;s3;d4;d1s5;s6;d7;d7;s7;s10;s11;s12;s13;s10s14;s3;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H14N2O3S |
All Atoms: | 30 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.91112 |
Area: | 395.942 |
Solvation: | -2.98742 |
Coulombic: | -27.9871 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 242.296 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.04 |
LogP (Chemaxon): | 1.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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