Chemical ID: 4942050

CSc1ccc(cc1)NC(=O)CCl
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

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Descriptor Annotations

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