Chemical ID: 5739061

c1cc(cc(c1)Cl)N=C2N=C(C(=Cc3ccc(cc3)F)S2)O
Chemical ID:
5739061
Name [?]:
2-(3-chlorophenyl)imino-5-[(4-fluorophenyl)methylene]thiazol-4-ol
SMILES [?]:
c1cc(cc(c1)Cl)N=C2N=C(C(=Cc3ccc(cc3)F)S2)O
InChi [?]:
InChI=1/C16H10ClFN2OS/c17-11-2-1-3-13(9-11)19-16-20-15(21)14(22-16)8-10-4-6-12(18)7-5-10/h1-9H,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,6,2,15,19,16,18,13,4,14,5,17,3,12,11,9,7,20,8,10,22,21/E:(4,5)(6,7)/rA:22nCCCCCCClNCNCCCCCCCCCFSO/rB:s1;d2;s3;d4;d1s5;s5;s3;w8;s9;d10;s11;w12;s13;s14;d15;s16;d17;d14s18;s17;s9s12;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H10ClFN2OS
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.2263
Area:507.553
Solvation:-2.46257
Coulombic:-35.9796
Bond Count [?]
All:24
Single:15
Double:9
Rotors:2
Chiral:2
Rigid Segments:3
Chemical Properties
Molecular Weight:332.781
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.18
LogP (Chemaxon):5.7

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