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Chemical ID: 5739061
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
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Experimental Annotations
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Descriptor Annotations
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