Chemical ID: 6591253

c1cc[n+](c(c1)SCC(=O)NCc2ccc(cc2)Cl)[O-]
Chemical ID:
6591253
Name [?]:
N-[(4-chlorophenyl)methyl]-2-[(1-oxido-2-pyridyl)sulfanyl]acetamide
SMILES [?]:
c1cc[n+](c(c1)SCC(=O)NCc2ccc(cc2)Cl)[O-]
InChi [?]:
InChI=1/C14H13ClN2O2S/c15-12-6-4-11(5-7-12)9-16-13(18)10-20-14-3-1-2-8-17(14)19/h1-8H,9-10H2,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,14,18,15,17,3,12,8,13,16,9,5,19,11,4,10,20,7/E:(4,5)(6,7)/CRV:17.5/rA:20nCCCN+CCSCCONCCCCCCCClO-/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;s4;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H13ClN2O2S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:-0.282988
Area:518.272
Solvation:-13.2398
Coulombic:-32.2154
Bond Count [?]
All:21
Single:14
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:308.784
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.32
LogP (Chemaxon):1.15

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