Chemical ID: 7134653

Cc1ccccc1N2C(=O)C(=Cc3ccc(cc3)O)SC2=O
Chemical ID:
7134653
Name [?]:
5-[(4-hydroxyphenyl)methylene]-3-(o-tolyl)thiazolidine-2,4-dione
SMILES [?]:
Cc1ccccc1N2C(=O)C(=Cc3ccc(cc3)O)SC2=O
InChi [?]:
InChI=1/C17H13NO3S/c1-11-4-2-3-5-14(11)18-16(20)15(22-17(18)21)10-12-6-8-13(19)9-7-12/h2-10,19H,1H3
InChi Info:
AuxInfo=1/0/N:1,4,5,3,6,14,18,15,17,12,2,13,16,7,11,9,21,8,19,10,22,20/E:(6,7)(8,9)/rA:22nCCCCCCCNCOCCCCCCCCOSCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;s16;s11;s8s20;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H13NO3S
All Atoms:35
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.99317
Area:489.867
Solvation:-3.25351
Coulombic:-44.9946
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:2.96
LogP (Chemaxon):3.94

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Descriptor Annotations

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