Chemical ID: 5525128

c1cc(ccc1SCCC(=O)Nc2ccc(cc2Cl)Cl)Cl
Chemical ID:
5525128
Name [?]:
3-(4-chlorophenyl)sulfanyl-N-(2,4-dichlorophenyl)-propanamide
SMILES [?]:
c1cc(ccc1SCCC(=O)Nc2ccc(cc2Cl)Cl)Cl
InChi [?]:
InChI=1/C15H12Cl3NOS/c16-10-1-4-12(5-2-10)21-8-7-15(20)19-14-6-3-11(17)9-13(14)18/h1-6,9H,7-8H2,(H,19,20)
InChi Info:
AuxInfo=1/1/N:2,4,15,1,5,14,9,8,17,3,16,6,18,13,10,21,20,19,12,11,7/E:(1,2)(4,5)/rA:21nCCCCCCSCCCONCCCCCCClClCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s16;s3;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H12Cl3NOS
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:12.299
Area:566.42
Solvation:-1.86148
Coulombic:-23.6374
Bond Count [?]
All:22
Single:15
Double:7
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:360.686
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.46
LogP (Chemaxon):4.76

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Descriptor Annotations

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