Chemical ID: 6909954

c1ccc(cc1)SCC(=O)Nc2c(cc(cc2Cl)Cl)Cl
Chemical ID:
6909954
Name [?]:
2-phenylsulfanyl-N-(2,4,6-trichlorophenyl)-acetamide
SMILES [?]:
c1ccc(cc1)SCC(=O)Nc2c(cc(cc2Cl)Cl)Cl
InChi [?]:
InChI=1/C14H10Cl3NOS/c15-9-6-11(16)14(12(17)7-9)18-13(19)8-20-10-4-2-1-3-5-10/h1-7H,8H2,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,14,16,8,15,4,13,17,9,12,19,20,18,11,10,7/E:(2,3)(4,5)(6,7)(11,12)(16,17)/rA:20nCCCCCCSCCONCCCCCCClClCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;s15;s13;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H10Cl3NOS
All Atoms:30
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:10.4464
Area:528.671
Solvation:-2.77032
Coulombic:-22.6664
Bond Count [?]
All:21
Single:14
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:346.659
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.1
LogP (Chemaxon):3.72

Name Annotations

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Descriptor Annotations

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