Chemical ID: 5727571

Cc1ccccc1N=C2N=C(C(=Cc3ccc(cc3)F)S2)O
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue