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Chemical ID: 4917593
Chemical ID:
4917593
Name [?]:
N-(2-phenylsulfinylphenyl)acetamide
SMILES [?]:
CC(=O)Nc1ccccc1S(=O)c2ccccc2
InChi [?]:
InChI=1/C14H13NO2S/c1-11(16)15-13-9-5-6-10-14(13)18(17)12-7-3-2-4-8-12/h2-10H,1H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,16,15,17,7,8,14,18,6,9,2,13,5,10,4,3,12,11/E:(3,4)(7,8)/rA:18cCCONCCCCCCSOCCCCCC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s10;d11;s11;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H13NO2S |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.90434 |
Area: | 424.474 |
Solvation: | -2.70751 |
Coulombic: | -25.8224 |
Bond Count [?]
All: | 19 |
Single: | 11 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 259.325 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.87 |
LogP (Chemaxon): | 2.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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