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Chemical ID: 7140952
Chemical ID:
7140952
Name [?]:
2-(3,4-dichlorophenyl)imino-5-[(4-fluorophenyl)methylene]thiazolidin-4-one
SMILES [?]:
c1cc(ccc1C=C2C(=O)NC(=Nc3ccc(c(c3)Cl)Cl)S2)F
InChi [?]:
InChI=1/C16H9Cl2FN2OS/c17-12-6-5-11(8-13(12)18)20-16-21-15(22)14(23-16)7-9-1-3-10(19)4-2-9/h1-8H,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,15,16,7,19,6,3,14,17,18,8,9,12,21,20,23,13,11,10,22/E:(1,2)(3,4)/rA:23nCCCCCCCCCONCNCCCCCCClClSF/rB:s1;d2;s3;d4;d1s5;s6;w7;s8;d9;s9;s11;w12;s13;s14;d15;s16;d17;d14s18;s18;s17;s8s12;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H9Cl2FN2OS |
All Atoms: | 32 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5078 |
Area: | 534.477 |
Solvation: | -2.8541 |
Coulombic: | -33.5337 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 2 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 367.225 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.5 |
LogP (Chemaxon): | 5.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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