Chemical ID: 4856070

COc1ccccc1C=C2C(=O)N(C(=S)S2)c3cccc(c3)O
Chemical ID:
4856070
Name [?]:
3-(3-hydroxyphenyl)-5-[(2-methoxyphenyl)methylene]-2-thioxo-thiazolidin-4-one
SMILES [?]:
COc1ccccc1C=C2C(=O)N(C(=S)S2)c3cccc(c3)O
InChi [?]:
InChI=1/C17H13NO3S2/c1-21-14-8-3-2-5-11(14)9-15-16(20)18(17(22)23-15)12-6-4-7-13(19)10-12/h2-10,19H,1H3
InChi Info:
AuxInfo=1/0/N:1,6,5,19,7,18,20,4,9,22,8,17,21,3,10,11,14,13,23,12,2,15,16/rA:23nCOCCCCCCCCCONCSSCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;w9;s10;d11;s11;s13;d14;s10s14;s13;s17;d18;s19;d20;d17s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H13NO3S2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.48823
Area:522.209
Solvation:-3.56699
Coulombic:-42.9726
Bond Count [?]
All:25
Single:16
Double:9
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:343.422
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.9
LogP (Chemaxon):3.95

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