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Chemical ID: 7192958
Chemical ID:
7192958
Name [?]:
2-(2-chlorophenyl)imino-5-(1H-pyridin-5-ylmethylene)thiazolidin-4-one
SMILES [?]:
c1ccc(c(c1)N=C2NC(=O)C(=Cc3ccc[nH+]c3)S2)Cl
InChi [?]:
InChI=1/C15H10ClN3OS/c16-11-5-1-2-6-12(11)18-15-19-14(20)13(21-15)8-10-4-3-7-17-9-10/h1-9H,(H,18,19,20)/p+1
InChi Info:
AuxInfo=1/1/N:2,1,16,15,3,6,17,13,19,14,4,5,12,10,8,21,18,7,9,11,20/rA:21nCCCCCCNCNCOCCCCCCN+CSCl/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s8s12;s4;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H11ClN3OS+ |
All Atoms: | 32 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -23.4098 |
Area: | 499.876 |
Solvation: | -35.9067 |
Coulombic: | -18.9202 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 2 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 316.786 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.46 |
LogP (Chemaxon): | 3.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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