Chemical ID: 7132089

Cc1cccc(c1)C=C2C(=O)N(C(=O)S2)c3cccc(c3)O
Chemical ID:
7132089
Name [?]:
3-(3-hydroxyphenyl)-5-(m-tolylmethylene)thiazolidine-2,4-dione
SMILES [?]:
Cc1cccc(c1)C=C2C(=O)N(C(=O)S2)c3cccc(c3)O
InChi [?]:
InChI=1/C17H13NO3S/c1-11-4-2-5-12(8-11)9-15-16(20)18(17(21)22-15)13-6-3-7-14(19)10-13/h2-10,19H,1H3
InChi Info:
AuxInfo=1/0/N:1,4,18,3,5,17,19,7,8,21,2,6,16,20,9,10,13,12,22,11,14,15/rA:22nCCCCCCCCCCONCOSCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s6;w8;s9;d10;s10;s12;d13;s9s13;s12;s16;d17;s18;d19;d16s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H13NO3S
All Atoms:35
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.35896
Area:498.477
Solvation:-3.10296
Coulombic:-44.9356
Bond Count [?]
All:24
Single:15
Double:9
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:311.356
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.17
LogP (Chemaxon):3.94

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Descriptor Annotations

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