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Chemical ID: 5630329
Chemical ID:
5630329
Name [?]:
N-(2-chloro-3-pyridyl)-2-[(1-oxido-2-pyridyl)sulfanyl]acetamide
SMILES [?]:
c1cc[n+](c(c1)SCC(=O)Nc2cccnc2Cl)[O-]
InChi [?]:
InChI=1/C12H10ClN3O2S/c13-12-9(4-3-6-14-12)15-10(17)8-19-11-5-1-2-7-16(11)18/h1-7H,8H2,(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,2,14,13,6,15,3,8,12,9,5,17,18,16,11,4,10,19,7/CRV:16.5/rA:19nCCCN+CCSCCONCCCCNCClO-/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;s4;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H10ClN3O2S |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -1.43026 |
Area: | 475.939 |
Solvation: | -13.3287 |
Coulombic: | -36.1402 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 295.746 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.01 |
LogP (Chemaxon): | -0.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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