Chemical ID: 5752044

c1ccc(c(c1)SCC(=O)Nc2cccc(c2Cl)Cl)Cl
Chemical ID:
5752044
Name [?]:
2-(2-chlorophenyl)sulfanyl-N-(2,3-dichlorophenyl)-acetamide
SMILES [?]:
c1ccc(c(c1)SCC(=O)Nc2cccc(c2Cl)Cl)Cl
InChi [?]:
InChI=1/C14H10Cl3NOS/c15-9-4-1-2-7-12(9)20-8-13(19)18-11-6-3-5-10(16)14(11)17/h1-7H,8H2,(H,18,19)
InChi Info:
AuxInfo=1/1/N:2,1,14,3,15,13,6,8,4,16,12,5,9,17,20,19,18,11,10,7/rA:20nCCCCCCSCCONCCCCCCClClCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;s16;s4;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H10Cl3NOS
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:10.498
Area:522.873
Solvation:-2.57381
Coulombic:-23.4595
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):4.37

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue