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Chemical ID: 6165194
Chemical ID:
6165194
Name [?]:
5-[(3,5-dichloro-2-hydroxy-phenyl)methylene]-2-phenylimino-thiazolidin-4-one
SMILES [?]:
c1ccc(cc1)N=C2NC(=O)C(=Cc3cc(cc(c3O)Cl)Cl)S2
InChi [?]:
InChI=1/C16H10Cl2N2O2S/c17-10-6-9(14(21)12(18)8-10)7-13-15(22)20-16(23-13)19-11-4-2-1-3-5-11/h1-8,21H,(H,19,20,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,15,13,17,14,16,4,18,12,19,10,8,22,21,7,9,20,11,23/E:(2,3)(4,5)/rA:23nCCCCCCNCNCOCCCCCCCCOClClS/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s19;s18;s16;s8s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H10Cl2N2O2S |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0299 |
Area: | 543.488 |
Solvation: | -2.55734 |
Coulombic: | -46.1528 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 2 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 365.234 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.93 |
LogP (Chemaxon): | 5.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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