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Chemical ID: 5752044
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
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Experimental Annotations
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Descriptor Annotations
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