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Chemical ID: 4981031
Chemical ID:
4981031
Name [?]:
N-(3-chloro-4-methyl-phenyl)-2-phenylsulfanyl-acetamide
SMILES [?]:
Cc1ccc(cc1Cl)NC(=O)CSc2ccccc2
InChi [?]:
InChI=1/C15H14ClNOS/c1-11-7-8-12(9-14(11)16)17-15(18)10-19-13-5-3-2-4-6-13/h2-9H,10H2,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,17,16,18,15,19,3,4,6,12,2,5,14,7,10,8,9,11,13/E:(3,4)(5,6)/rA:19nCCCCCCCClNCOCSCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14ClNOS |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.65348 |
Area: | 489.652 |
Solvation: | -2.58781 |
Coulombic: | -22.586 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 291.797 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.08 |
LogP (Chemaxon): | 4.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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