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Chemical ID: 4819142
Chemical ID:
4819142
Name [?]:
5-[(2,3-dichlorophenyl)methyl]-2-(2-pyridylimino)thiazolidin-4-one
SMILES [?]:
c1ccnc(c1)N=C2NC(=O)C(S2)Cc3cccc(c3Cl)Cl
InChi [?]:
InChI=1/C15H11Cl2N3OS/c16-10-5-3-4-9(13(10)17)8-11-14(21)20-15(22-11)19-12-6-1-2-7-18-12/h1-7,11H,8H2,(H,18,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,17,16,18,6,3,14,15,19,12,5,20,10,8,22,21,4,7,9,11,13/rA:22cCCCNCCNCNCOCSCCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;s9;d10;s10;s8s12;s12;s14;s15;d16;s17;d18;d15s19;s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H11Cl2N3OS |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.785 |
Area: | 522.425 |
Solvation: | -2.27562 |
Coulombic: | -34.5244 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 352.239 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.41 |
LogP (Chemaxon): | 4.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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