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Chemical ID: 5699134
Chemical ID:
5699134
Name [?]:
2-(p-tolylimino)-5-(2-thienylmethylene)thiazol-4-ol
SMILES [?]:
Cc1ccc(cc1)N=C2N=C(C(=Cc3cccs3)S2)O
InChi [?]:
InChI=1/C15H12N2OS2/c1-10-4-6-11(7-5-10)16-15-17-14(18)13(20-15)9-12-3-2-8-19-12/h2-9H,1H3,(H,16,17,18)
InChi Info:
AuxInfo=1/1/N:1,16,15,3,7,4,6,17,13,2,5,14,12,11,9,8,10,20,18,19/E:(4,5)(6,7)/rA:20nCCCCCCCNCNCCCCCCCSSO/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;d10;s11;w12;s13;d14;s15;d16;s14s17;s9s12;s11;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H12N2OS2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1597 |
Area: | 480.687 |
Solvation: | -1.85748 |
Coulombic: | -31.5848 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 2 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 300.401 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.86 |
LogP (Chemaxon): | 4.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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