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Chemical ID: 7140954
Chemical ID:
7140954
Name [?]:
5-[(4-fluorophenyl)methylene]-2-(1-naphthylimino)thiazolidin-4-one
SMILES [?]:
c1ccc2c(c1)cccc2N=C3NC(=O)C(=Cc4ccc(cc4)F)S3
InChi [?]:
InChI=1/C20H13FN2OS/c21-15-10-8-13(9-11-15)12-18-19(24)23-20(25-18)22-17-7-3-5-14-4-1-2-6-16(14)17/h1-12H,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,8,6,7,3,9,19,23,20,22,17,18,5,21,4,10,16,14,12,24,11,13,15,25/E:(8,9)(10,11)/rA:25nCCCCCCCCCCNCNCOCCCCCCCCFS/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;w11;s12;s13;d14;s14;w16;s17;s18;d19;s20;d21;d18s22;s21;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H13FN2OS |
All Atoms: | 38 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4559 |
Area: | 531.947 |
Solvation: | -2.84279 |
Coulombic: | -34.8157 |
Bond Count [?]
All: | 28 |
Single: | 17 |
Double: | 11 |
Rotors: | 2 |
Chiral: | 2 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 348.395 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.52 |
LogP (Chemaxon): | 5.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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