Chemical ID: 5725198

Cc1cccc(c1C)N=C2N=C(C(=Cc3cccc(c3)F)S2)O
Chemical ID:
5725198
Name [?]:
2-(2,3-dimethylphenyl)imino-5-[(3-fluorophenyl)methylene]thiazol-4-ol
SMILES [?]:
Cc1cccc(c1C)N=C2N=C(C(=Cc3cccc(c3)F)S2)O
InChi [?]:
InChI=1/C18H15FN2OS/c1-11-5-3-8-15(12(11)2)20-18-21-17(22)16(23-18)10-13-6-4-7-14(19)9-13/h3-10H,1-2H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,8,4,17,3,16,18,5,20,14,2,7,15,19,6,13,12,10,21,9,11,23,22/rA:23nCCCCCCCCNCNCCCCCCCCCFSO/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;w9;s10;d11;s12;w13;s14;s15;d16;s17;d18;d15s19;s19;s10s13;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15FN2OS
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.31
Area:512.555
Solvation:-2.50382
Coulombic:-35.8409
Bond Count [?]
All:25
Single:16
Double:9
Rotors:2
Chiral:2
Rigid Segments:3
Chemical Properties
Molecular Weight:326.389
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.22
LogP (Chemaxon):6.12

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