Chemical ID: 6164538

c1ccc(cc1)N=C2NC(=O)C(=Cc3ccc(c(c3)O)O)S2
Chemical ID:
6164538
Name [?]:
5-[(3,4-dihydroxyphenyl)methylene]-2-phenylimino-thiazolidin-4-one
SMILES [?]:
c1ccc(cc1)N=C2NC(=O)C(=Cc3ccc(c(c3)O)O)S2
InChi [?]:
InChI=1/C16H12N2O3S/c19-12-7-6-10(8-13(12)20)9-14-15(21)18-16(22-14)17-11-4-2-1-3-5-11/h1-9,19-20H,(H,17,18,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,15,16,19,13,14,4,17,18,12,10,8,7,9,21,20,11,22/E:(2,3)(4,5)/rA:22nCCCCCCNCNCOCCCCCCCCOOS/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s18;s17;s8s12;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H12N2O3S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.498
Area:498.398
Solvation:-3.96195
Coulombic:-61.0108
Bond Count [?]
All:24
Single:15
Double:9
Rotors:2
Chiral:2
Rigid Segments:3
Chemical Properties
Molecular Weight:312.344
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:2.71
LogP (Chemaxon):3.78

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