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Chemical ID: 4849744
Chemical ID:
4849744
Name [?]:
5-[(2-hydroxyphenyl)methylene]-2-(p-tolylimino)thiazolidin-4-one
SMILES [?]:
Cc1ccc(cc1)N=C2NC(=O)C(=Cc3ccccc3O)S2
InChi [?]:
InChI=1/C17H14N2O2S/c1-11-6-8-13(9-7-11)18-17-19-16(21)15(22-17)10-12-4-2-3-5-14(12)20/h2-10,20H,1H3,(H,18,19,21)
InChi Info:
AuxInfo=1/1/N:1,17,18,16,19,3,7,4,6,14,2,15,5,20,13,11,9,8,10,21,12,22/E:(6,7)(8,9)/rA:22nCCCCCCCNCNCOCCCCCCCCOS/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s20;s9s13;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H14N2O2S |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0095 |
Area: | 501.934 |
Solvation: | -2.53889 |
Coulombic: | -45.9312 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 2 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 310.371 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.12 |
LogP (Chemaxon): | 4.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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