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Chemical ID: 5727571
Chemical ID:
5727571
Name [?]:
5-[(4-fluorophenyl)methylene]-2-(o-tolylimino)thiazol-4-ol
SMILES [?]:
Cc1ccccc1N=C2N=C(C(=Cc3ccc(cc3)F)S2)O
InChi [?]:
InChI=1/C17H13FN2OS/c1-11-4-2-3-5-14(11)19-17-20-16(21)15(22-17)10-12-6-8-13(18)9-7-12/h2-10H,1H3,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,4,5,3,6,15,19,16,18,13,2,14,17,7,12,11,9,20,8,10,22,21/E:(6,7)(8,9)/rA:22nCCCCCCCNCNCCCCCCCCCFSO/rB:s1;s2;d3;s4;d5;d2s6;s7;w8;s9;d10;s11;w12;s13;s14;d15;s16;d17;d14s18;s17;s9s12;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H13FN2OS |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.81178 |
Area: | 491.529 |
Solvation: | -2.47644 |
Coulombic: | -35.9647 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 2 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 312.362 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.78 |
LogP (Chemaxon): | 5.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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