Chemical ID: 5738492

c1ccc(c(c1)N=C2N=C(C(=Cc3cccc(c3)F)S2)O)Cl
Chemical ID:
5738492
Name [?]:
2-(2-chlorophenyl)imino-5-[(3-fluorophenyl)methylene]thiazol-4-ol
SMILES [?]:
c1ccc(c(c1)N=C2N=C(C(=Cc3cccc(c3)F)S2)O)Cl
InChi [?]:
InChI=1/C16H10ClFN2OS/c17-12-6-1-2-7-13(12)19-16-20-15(21)14(22-16)9-10-4-3-5-11(18)8-10/h1-9H,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:2,1,15,14,16,3,6,18,12,13,17,4,5,11,10,8,22,19,7,9,21,20/rA:22nCCCCCCNCNCCCCCCCCCFSOCl/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;d9;s10;w11;s12;s13;d14;s15;d16;d13s17;s17;s8s11;s10;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H10ClFN2OS
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.0671
Area:504.737
Solvation:-2.5513
Coulombic:-36.4342
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

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Descriptor Annotations

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