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Chemical ID: 4230256
Chemical ID:
4230256
Name [?]:
N-(2-methylsulfanylphenyl)-2-phenyl-acetamide
SMILES [?]:
CSc1ccccc1NC(=O)Cc2ccccc2
InChi [?]:
InChI=1/C15H15NOS/c1-18-14-10-6-5-9-13(14)16-15(17)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,16,15,17,6,5,14,18,7,4,12,13,8,3,10,9,11,2/E:(3,4)(7,8)/rA:18nCSCCCCCCNCOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H15NOS |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.9116 |
Area: | 450.926 |
Solvation: | -2.36156 |
Coulombic: | -22.9275 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 257.352 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.55 |
LogP (Chemaxon): | 3.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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