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Chemical ID: 4186867
Chemical ID:
4186867
Name [?]:
3-(4-chlorophenyl)-5-[(4-hydroxyphenyl)methylene]thiazolidine-2,4-dione
SMILES [?]:
c1cc(ccc1C=C2C(=O)N(C(=O)S2)c3ccc(cc3)Cl)O
InChi [?]:
InChI=1/C16H10ClNO3S/c17-11-3-5-12(6-4-11)18-15(20)14(22-16(18)21)9-10-1-7-13(19)8-2-10/h1-9,19H
InChi Info:
AuxInfo=1/0/N:1,5,17,19,16,20,2,4,7,6,18,15,3,8,9,12,21,11,22,10,13,14/E:(1,2)(3,4)(5,6)(7,8)/rA:22nCCCCCCCCCONCOSCCCCCCClO/rB:s1;d2;s3;d4;d1s5;s6;w7;s8;d9;s9;s11;d12;s8s12;s11;s15;d16;s17;d18;d15s19;s18;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H10ClNO3S |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.3485 |
Area: | 506.777 |
Solvation: | -3.32093 |
Coulombic: | -44.9347 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 331.774 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.36 |
LogP (Chemaxon): | 3.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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