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Chemical ID: 4942050
Chemical ID:
4942050
Name [?]:
2-chloro-N-(4-methylsulfanylphenyl)-acetamide
SMILES [?]:
CSc1ccc(cc1)NC(=O)CCl
InChi [?]:
InChI=1/C9H10ClNOS/c1-13-8-4-2-7(3-5-8)11-9(12)6-10/h2-5H,6H2,1H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,5,7,4,8,12,6,3,10,13,9,11,2/E:(2,3)(4,5)/rA:13nCSCCCCCCNCOCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H10ClNOS |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.05743 |
Area: | 387.59 |
Solvation: | -2.63232 |
Coulombic: | -20.823 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 215.701 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.26 |
LogP (Chemaxon): | 2.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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