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Chemical ID: 6647993
Chemical ID:
6647993
Name [?]:
2-(4-aminophenyl)sulfanyl-N-(4-chlorophenyl)-acetamide
SMILES [?]:
c1cc(ccc1N)SCC(=O)Nc2ccc(cc2)Cl
InChi [?]:
InChI=1/C14H13ClN2OS/c15-10-1-5-12(6-2-10)17-14(18)9-19-13-7-3-11(16)4-8-13/h1-8H,9,16H2,(H,17,18)
InChi Info:
AuxInfo=1/1/N:15,17,1,5,14,18,2,4,9,16,6,13,3,10,19,7,12,11,8/E:(1,2)(3,4)(5,6)(7,8)/rA:19nCCCCCCNSCCONCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s6;s3;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H13ClN2OS |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.37199 |
Area: | 492.771 |
Solvation: | -2.94728 |
Coulombic: | -37.9139 |
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): | 3.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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