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Chemical ID: 3886275
Chemical ID:
3886275
Name [?]:
2-(2-aminophenyl)sulfanyl-N-(2-chlorophenyl)-acetamide
SMILES [?]:
c1ccc(c(c1)N)SCC(=O)Nc2ccccc2Cl
InChi [?]:
InChI=1/C14H13ClN2OS/c15-10-5-1-3-7-12(10)17-14(18)9-19-13-8-4-2-6-11(13)16/h1-8H,9,16H2,(H,17,18)
InChi Info:
AuxInfo=1/1/N:16,1,15,2,17,6,14,3,9,18,5,13,4,10,19,7,12,11,8/rA:19nCCCCCCNSCCONCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s4;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H13ClN2OS |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.35115 |
Area: | 481.974 |
Solvation: | -2.69819 |
Coulombic: | -39.0597 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 292.785 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | 3.04 |
LogP (Chemaxon): | 2.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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