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Chemical ID: 6164538
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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