Chemical ID: 4332147

CSc1cccc(c1)NC(=O)c2ccco2
Chemical ID:
4332147
Name [?]:
N-(3-methylsulfanylphenyl)furan-2-carboxamide
SMILES [?]:
CSc1cccc(c1)NC(=O)c2ccco2
InChi [?]:
InChI=1/C12H11NO2S/c1-16-10-5-2-4-9(8-10)13-12(14)11-6-3-7-15-11/h2-8H,1H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,5,14,6,4,13,15,8,7,3,12,10,9,11,16,2/rA:16nCSCCCCCCNCOCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s10;d12;s13;d14;s12s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H11NO2S
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:8.07445
Area:415.365
Solvation:-2.30968
Coulombic:-31.2087
Bond Count [?]
All:17
Single:11
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:233.287
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.44
LogP (Chemaxon):2.71

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Descriptor Annotations

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