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Chemical ID: 6190686
Chemical ID:
6190686
Name [?]:
5-[(2,4-dichlorophenyl)methylene]-2-(4-hydroxyphenyl)imino-thiazolidin-4-one
SMILES [?]:
c1cc(ccc1N=C2NC(=O)C(=Cc3ccc(cc3Cl)Cl)S2)O
InChi [?]:
InChI=1/C16H10Cl2N2O2S/c17-10-2-1-9(13(18)8-10)7-14-15(22)20-16(23-14)19-11-3-5-12(21)6-4-11/h1-8,21H,(H,19,20,22)
InChi Info:
AuxInfo=1/1/N:15,16,1,5,2,4,13,18,14,17,6,3,19,12,10,8,21,20,7,9,23,11,22/E:(3,4)(5,6)/rA:23nCCCCCCNCNCOCCCCCCCCClClSO/rB:s1;d2;s3;d4;d1s5;s6;w7;s8;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s19;s17;s8s12;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H10Cl2N2O2S |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0164 |
Area: | 549.099 |
Solvation: | -2.71109 |
Coulombic: | -45.6059 |
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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