Chemical ID: 7140098

COc1ccccc1C=C2C(=O)NC(=Nc3ccc(c(c3)Cl)F)S2
Chemical ID:
7140098
Name [?]:
2-(3-chloro-4-fluoro-phenyl)imino-5-[(2-methoxyphenyl)methylene]thiazolidin-4-one
SMILES [?]:
COc1ccccc1C=C2C(=O)NC(=Nc3ccc(c(c3)Cl)F)S2
InChi [?]:
InChI=1/C17H12ClFN2O2S/c1-23-14-5-3-2-4-10(14)8-15-16(22)21-17(24-15)20-11-6-7-13(19)12(18)9-11/h2-9H,1H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,6,5,7,4,17,18,9,21,8,16,20,19,3,10,11,14,22,23,15,13,12,2,24/rA:24nCOCCCCCCCCCONCNCCCCCCClFS/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;w9;s10;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s20;s19;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H12ClFN2O2S
All Atoms:36
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.58078
Area:542.023
Solvation:-3.96979
Coulombic:-40.0425
Bond Count [?]
All:26
Single:17
Double:9
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:362.807
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.79
LogP (Chemaxon):4.76

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