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Chemical ID: 7140154
Chemical ID:
7140154
Name [?]:
2-(3-chloro-4-fluoro-phenyl)imino-5-[(2,5-dimethoxyphenyl)methylene]thiazolidin-4-one
SMILES [?]:
COc1ccc(c(c1)C=C2C(=O)NC(=Nc3ccc(c(c3)Cl)F)S2)OC
InChi [?]:
InChI=1/C18H14ClFN2O3S/c1-24-12-4-6-15(25-2)10(7-12)8-16-17(23)22-18(26-16)21-11-3-5-14(20)13(19)9-11/h3-9H,1-2H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,26,17,4,18,5,8,9,21,7,16,3,20,19,6,10,11,14,22,23,15,13,12,2,25,24/rA:26nCOCCCCCCCCCONCNCCCCCCClFSOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;w9;s10;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s20;s19;s10s14;s6;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H14ClFN2O3S |
All Atoms: | 40 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.04544 |
Area: | 573.25 |
Solvation: | -5.2858 |
Coulombic: | -45.9837 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 2 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 392.833 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.7 |
LogP (Chemaxon): | 4.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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