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Chemical ID: 6663088
Chemical ID:
6663088
Name [?]:
N-(4-acetylsulfanylphenyl)acetamide
SMILES [?]:
CC(=O)Nc1ccc(cc1)SC(=O)C
InChi [?]:
InChI=1/C10H11NO2S/c1-7(12)11-9-3-5-10(6-4-9)14-8(2)13/h3-6H,1-2H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,14,6,10,7,9,2,12,5,8,4,3,13,11/E:(3,4)(5,6)/rA:14nCCONCCCCCCSCOC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H11NO2S |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.51497 |
Area: | 385.966 |
Solvation: | -3.13419 |
Coulombic: | -27.0598 |
Bond Count [?]
All: | 14 |
Single: | 9 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 209.266 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.41 |
LogP (Chemaxon): | 1.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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