Chemical ID: 4186867

c1cc(ccc1C=C2C(=O)N(C(=O)S2)c3ccc(cc3)Cl)O
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue