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Chemical ID: 6190685
Chemical ID:
6190685
Name [?]:
5-[(2-chlorophenyl)methylene]-2-(4-hydroxyphenyl)imino-thiazolidin-4-one
SMILES [?]:
c1ccc(c(c1)C=C2C(=O)NC(=Nc3ccc(cc3)O)S2)Cl
InChi [?]:
InChI=1/C16H11ClN2O2S/c17-13-4-2-1-3-10(13)9-14-15(21)19-16(22-14)18-11-5-7-12(20)8-6-11/h1-9,20H,(H,18,19,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,15,19,16,18,7,5,14,17,4,8,9,12,22,13,11,20,10,21/E:(5,6)(7,8)/rA:22nCCCCCCCCCONCNCCCCCCOSCl/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;d9;s9;s11;w12;s13;s14;d15;s16;d17;d14s18;s17;s8s12;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H11ClN2O2S |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0514 |
Area: | 513.152 |
Solvation: | -2.77742 |
Coulombic: | -45.7103 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 2 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 330.79 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.31 |
LogP (Chemaxon): | 4.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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