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Chemical ID: 7140098
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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