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Chemical ID: 4858473
Chemical ID:
4858473
Name [?]:
2-(2-chlorophenyl)amino-5-(2-thienylmethylene)thiazol-4-one
SMILES [?]:
c1ccc(c(c1)NC2=NC(=O)C(=Cc3cccs3)S2)Cl
InChi [?]:
InChI=1/C14H9ClN2OS2/c15-10-5-1-2-6-11(10)16-14-17-13(18)12(20-14)8-9-4-3-7-19-9/h1-8H,(H,16,17,18)
InChi Info:
AuxInfo=1/1/N:2,1,16,15,3,6,17,13,14,4,5,12,10,8,20,7,9,11,18,19/rA:20nCCCCCCNCNCOCCCCCCSSCl/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;s10;w12;s13;d14;s15;d16;s14s17;s8s12;s4;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H9ClN2OS2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2542 |
Area: | 487.901 |
Solvation: | -1.94335 |
Coulombic: | -30.8231 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 320.819 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.0 |
LogP (Chemaxon): | 4.14 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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