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Chemical ID: 6670555
Chemical ID:
6670555
Name [?]:
4-(3-pyridylsulfonyl)morpholine
SMILES [?]:
c1cc(cnc1)S(=O)(=O)N2CCOCC2
InChi [?]:
InChI=1/C9H12N2O3S/c12-15(13,9-2-1-3-10-8-9)11-4-6-14-7-5-11/h1-3,8H,4-7H2
InChi Info:
AuxInfo=1/0/N:1,2,6,11,15,12,14,4,3,5,10,8,9,13,7/E:(4,5)(6,7)(12,13)/CRV:15.6/rA:15nCCCCNCSOONCCOCC/rB:s1;d2;s3;d4;d1s5;s3;d7;d7;s7;s10;s11;s12;s13;s10s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H12N2O3S |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.03476 |
Area: | 375.794 |
Solvation: | -3.3601 |
Coulombic: | -19.5191 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 228.269 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | -0.54 |
LogP (Chemaxon): | -0.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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