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Chemical ID: 4991449
Chemical ID:
4991449
Name [?]:
2-(2-chlorophenyl)imino-5-[(3,4-dichlorophenyl)methylene]thiazolidin-4-one
SMILES [?]:
c1ccc(c(c1)N=C2NC(=O)C(=Cc3ccc(c(c3)Cl)Cl)S2)Cl
InChi [?]:
InChI=1/C16H9Cl3N2OS/c17-10-6-5-9(7-12(10)19)8-14-15(22)21-16(23-14)20-13-4-2-1-3-11(13)18/h1-8H,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:2,1,3,6,15,16,19,13,14,17,4,18,5,12,10,8,21,23,20,7,9,11,22/rA:23nCCCCCCNCNCOCCCCCCCCClClSCl/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s18;s17;s8s12;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H9Cl3N2OS |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.0416 |
Area: | 559.74 |
Solvation: | -1.95191 |
Coulombic: | -31.2483 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 2 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 383.68 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.96 |
LogP (Chemaxon): | 5.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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