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Chemical ID: 4879945
Chemical ID:
4879945
Name [?]:
5-[(3-fluorophenyl)methylene]-2-phenylimino-thiazolidin-4-one
SMILES [?]:
c1ccc(cc1)N=C2NC(=O)C(=Cc3cccc(c3)F)S2
InChi [?]:
InChI=1/C16H11FN2OS/c17-12-6-4-5-11(9-12)10-14-15(20)19-16(21-14)18-13-7-2-1-3-8-13/h1-10H,(H,18,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,16,15,17,3,5,19,13,14,18,4,12,10,8,20,7,9,11,21/E:(2,3)(7,8)/rA:21nCCCCCCNCNCOCCCCCCCCFS/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s18;s8s12;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H11FN2OS |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.19632 |
Area: | 473.414 |
Solvation: | -2.63903 |
Coulombic: | -33.7479 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 2 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 298.336 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.25 |
LogP (Chemaxon): | 4.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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