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Chemical ID: 5640026
Chemical ID:
5640026
Name [?]:
2-(2-chlorophenyl)imino-5-[(2-fluorophenyl)methylene]thiazolidin-4-one
SMILES [?]:
c1ccc(c(c1)C=C2C(=O)NC(=Nc3ccccc3Cl)S2)F
InChi [?]:
InChI=1/C16H10ClFN2OS/c17-11-6-2-4-8-13(11)19-16-20-15(21)14(22-16)9-10-5-1-3-7-12(10)18/h1-9H,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,17,2,16,6,18,3,15,7,5,19,4,14,8,9,12,20,22,13,11,10,21/rA:22nCCCCCCCCCONCNCCCCCCClSF/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;d9;s9;s11;w12;s13;s14;d15;s16;d17;d14s18;s19;s8s12;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H10ClFN2OS |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0544 |
Area: | 503.052 |
Solvation: | -2.52185 |
Coulombic: | -34.4938 |
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: | 3.88 |
LogP (Chemaxon): | 5.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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