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Chemical ID: 5525128
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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