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Chemical ID: 7140936
Chemical ID:
7140936
Name [?]:
2-(3-chloro-4-fluoro-phenyl)imino-5-[(3-fluorophenyl)methylene]thiazolidin-4-one
SMILES [?]:
c1cc(cc(c1)F)C=C2C(=O)NC(=Nc3ccc(c(c3)Cl)F)S2
InChi [?]:
InChI=1/C16H9ClF2N2OS/c17-12-8-11(4-5-13(12)19)20-16-21-15(22)14(23-16)7-9-2-1-3-10(18)6-9/h1-8H,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,16,17,4,8,20,3,5,15,19,18,9,10,13,21,7,22,14,12,11,23/rA:23nCCCCCCFCCCONCNCCCCCCClFS/rB:s1;d2;s3;d4;d1s5;s5;s3;w8;s9;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s19;s18;s9s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H9ClF2N2OS |
All Atoms: | 32 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.16846 |
Area: | 512.566 |
Solvation: | -3.64568 |
Coulombic: | -36.3422 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 2 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 350.771 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.04 |
LogP (Chemaxon): | 5.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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