Chemical ID: 4222856

Cc1ccccc1C=C2C(=O)N(C(=O)S2)c3ccccc3
Chemical ID:
4222856
Name [?]:
5-(o-tolylmethylene)-3-phenyl-thiazolidine-2,4-dione
SMILES [?]:
Cc1ccccc1C=C2C(=O)N(C(=O)S2)c3ccccc3
InChi [?]:
InChI=1/C17H13NO2S/c1-12-7-5-6-8-13(12)11-15-16(19)18(17(20)21-15)14-9-3-2-4-10-14/h2-11H,1H3
InChi Info:
AuxInfo=1/0/N:1,19,18,20,4,5,3,6,17,21,8,2,7,16,9,10,13,12,11,14,15/E:(3,4)(9,10)/rA:21nCCCCCCCCCCONCOSCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;w8;s9;d10;s10;s12;d13;s9s13;s12;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H13NO2S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.41799
Area:472.822
Solvation:-2.40257
Coulombic:-29.8209
Bond Count [?]
All:23
Single:14
Double:9
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:295.357
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.58
LogP (Chemaxon):4.22

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Descriptor Annotations

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