Chemical ID: 5723434

c1cc(cc(c1)F)C=C2C(=NC(=Nc3ccc(cc3)F)S2)O
Chemical ID:
5723434
Name [?]:
2-(4-fluorophenyl)imino-5-[(3-fluorophenyl)methylene]thiazol-4-ol
SMILES [?]:
c1cc(cc(c1)F)C=C2C(=NC(=Nc3ccc(cc3)F)S2)O
InChi [?]:
InChI=1/C16H10F2N2OS/c17-11-4-6-13(7-5-11)19-16-20-15(21)14(22-16)9-10-2-1-3-12(18)8-10/h1-9H,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,16,18,15,19,4,8,3,17,5,14,9,10,12,20,7,13,11,22,21/E:(4,5)(6,7)/rA:22nCCCCCCFCCCNCNCCCCCCFSO/rB:s1;d2;s3;d4;d1s5;s5;s3;w8;s9;d10;s11;w12;s13;s14;d15;s16;d17;d14s18;s17;s9s12;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H10F2N2OS
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.5881
Area:479.956
Solvation:-3.41081
Coulombic:-38.7377
Bond Count [?]
All:24
Single:15
Double:9
Rotors:2
Chiral:2
Rigid Segments:3
Chemical Properties
Molecular Weight:316.326
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.72
LogP (Chemaxon):5.32

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Descriptor Annotations

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