Chemical ID: 7140952

c1cc(ccc1C=C2C(=O)NC(=Nc3ccc(c(c3)Cl)Cl)S2)F
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

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