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Chemical ID: 7140901
Chemical ID:
7140901
Name [?]:
5-[(2-fluorophenyl)methylene]-2-(2-methoxyphenyl)imino-thiazolidin-4-one
SMILES [?]:
COc1ccccc1N=C2NC(=O)C(=Cc3ccccc3F)S2
InChi [?]:
InChI=1/C17H13FN2O2S/c1-22-14-9-5-4-8-13(14)19-17-20-16(21)15(23-17)10-11-6-2-3-7-12(11)18/h2-10H,1H3,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,18,19,6,5,17,20,7,4,15,16,21,8,3,14,12,10,22,9,11,13,2,23/rA:23nCOCCCCCCNCNCOCCCCCCCCFS/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;w9;s10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s21;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H13FN2O2S |
All Atoms: | 36 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.45214 |
Area: | 508.777 |
Solvation: | -4.26727 |
Coulombic: | -40.6874 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 2 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 328.362 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.17 |
LogP (Chemaxon): | 4.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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