Chemical ID: 4333855

c1ccc(cc1)C=CC=C2C(=O)NC(=Nc3ccc(cc3)O)S2
Chemical ID:
4333855
Name [?]:
5-cinnamylidene-2-(4-hydroxyphenyl)imino-thiazolidin-4-one
SMILES [?]:
c1ccc(cc1)C=CC=C2C(=O)NC(=Nc3ccc(cc3)O)S2
InChi [?]:
InChI=1/C18H14N2O2S/c21-15-11-9-14(10-12-15)19-18-20-17(22)16(23-18)8-4-7-13-5-2-1-3-6-13/h1-12,21H,(H,19,20,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,8,3,5,7,9,17,21,18,20,4,16,19,10,11,14,15,13,22,12,23/E:(2,3)(5,6)(9,10)(11,12)/rA:23nCCCCCCCCCCCONCNCCCCCCOS/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;w9;s10;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s19;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14N2O2S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.5686
Area:532.995
Solvation:-2.75625
Coulombic:-46.6917
Bond Count [?]
All:25
Single:15
Double:10
Rotors:3
Chiral:3
Rigid Segments:4
Chemical Properties
Molecular Weight:322.382
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.17
LogP (Chemaxon):4.6

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