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Chemical ID: 5185225
Chemical ID:
5185225
Name [?]:
2-(2,5-dichlorophenyl)sulfanyl-N-phenyl-acetamide
SMILES [?]:
c1ccc(cc1)NC(=O)CSc2cc(ccc2Cl)Cl
InChi [?]:
InChI=1/C14H11Cl2NOS/c15-10-6-7-12(16)13(8-10)19-9-14(18)17-11-4-2-1-3-5-11/h1-8H,9H2,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,15,16,13,10,14,4,17,12,8,19,18,7,9,11/E:(2,3)(4,5)/rA:19nCCCCCCNCOCSCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s17;s14;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H11Cl2NOS |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.62736 |
Area: | 501.304 |
Solvation: | -2.90524 |
Coulombic: | -22.3382 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 312.215 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.48 |
LogP (Chemaxon): | 4.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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