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Chemical ID: 5738492
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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