Chemical ID: 5630329

c1cc[n+](c(c1)SCC(=O)Nc2cccnc2Cl)[O-]
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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Descriptor Annotations

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