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Chemical ID: 7045762
Chemical ID:
7045762
Name [?]:
6-chloro-N-propyl-pyridine-3-sulfonamide
SMILES [?]:
CCCNS(=O)(=O)c1ccc(nc1)Cl
InChi [?]:
InChI=1/C8H11ClN2O2S/c1-2-5-11-14(12,13)7-3-4-8(9)10-6-7/h3-4,6,11H,2,5H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,9,10,3,13,8,11,14,12,4,6,7,5/E:(12,13)/CRV:14.6/rA:14nCCCNSOOCCCCNCCl/rB:s1;s2;s3;s4;d5;d5;s5;s8;d9;s10;d11;d8s12;s11;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H11ClN2O2S |
All Atoms: | 25 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.06684 |
Area: | 403.731 |
Solvation: | -2.02642 |
Coulombic: | -17.7095 |
Bond Count [?]
All: | 14 |
Single: | 9 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 234.704 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.11 |
LogP (Chemaxon): | 1.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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