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Chemical ID: 4770597
Chemical ID:
4770597
Name [?]:
2-(2-aminophenyl)sulfanyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-acetamide
SMILES [?]:
c1ccc(c(c1)N)SCC(=O)Nc2cc(ccc2Cl)C(F)(F)F
InChi [?]:
InChI=1/C15H12ClF3N2OS/c16-10-6-5-9(15(17,18)19)7-12(10)21-14(22)8-23-13-4-2-1-3-11(13)20/h1-7H,8,20H2,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,16,17,14,9,15,18,5,13,4,10,20,19,21,22,23,7,12,11,8/E:(17,18,19)/rA:23nCCCCCCNSCCONCCCCCCClCFFF/rB:s1;d2;s3;d4;d1s5;s5;s4;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s15;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H12ClF3N2OS |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.62637 |
Area: | 526.462 |
Solvation: | -3.53519 |
Coulombic: | -56.7221 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 360.783 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | 3.97 |
LogP (Chemaxon): | 3.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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