Chemical ID: 5640026

c1ccc(c(c1)C=C2C(=O)NC(=Nc3ccccc3Cl)S2)F
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

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Descriptor Annotations

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