Chemical ID: 4836666

c1cc(ccc1C=C2C(=O)NC(=Nc3cc(cc(c3)Cl)Cl)S2)F
Chemical ID:
4836666
Name [?]:
2-(3,5-dichlorophenyl)imino-5-[(4-fluorophenyl)methylene]thiazolidin-4-one
SMILES [?]:
c1cc(ccc1C=C2C(=O)NC(=Nc3cc(cc(c3)Cl)Cl)S2)F
InChi [?]:
InChI=1/C16H9Cl2FN2OS/c17-10-6-11(18)8-13(7-10)20-16-21-15(22)14(23-16)5-9-1-3-12(19)4-2-9/h1-8H,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,7,17,15,19,6,16,18,3,14,8,9,12,21,20,23,13,11,10,22/E:(1,2)(3,4)(7,8)(10,11)(17,18)/rA:23nCCCCCCCCCONCNCCCCCCClClSF/rB:s1;d2;s3;d4;d1s5;s6;w7;s8;d9;s9;s11;w12;s13;s14;d15;s16;d17;d14s18;s18;s16;s8s12;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H9Cl2FN2OS
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.7991
Area:542.982
Solvation:-2.77543
Coulombic:-33.1819
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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Descriptor Annotations

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