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Chemical ID: 7136213
Chemical ID:
7136213
Name [?]:
2-(4-hydroxyphenyl)imino-5-(p-tolylmethylene)thiazolidin-4-one
SMILES [?]:
Cc1ccc(cc1)C=C2C(=O)NC(=Nc3ccc(cc3)O)S2
InChi [?]:
InChI=1/C17H14N2O2S/c1-11-2-4-12(5-3-11)10-15-16(21)19-17(22-15)18-13-6-8-14(20)9-7-13/h2-10,20H,1H3,(H,18,19,21)
InChi Info:
AuxInfo=1/1/N:1,3,7,4,6,16,20,17,19,8,2,5,15,18,9,10,13,14,12,21,11,22/E:(2,3)(4,5)(6,7)(8,9)/rA:22nCCCCCCCCCCONCNCCCCCCOS/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s18;s9s13;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H14N2O2S |
All Atoms: | 36 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.82997 |
Area: | 503.706 |
Solvation: | -2.76267 |
Coulombic: | -45.4057 |
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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