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Chemical ID: 4332147
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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