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Chemical ID: 4656454
Chemical ID:
4656454
Name [?]:
3-[5-[(4-fluorophenyl)methyl]thiazol-2-yl]-2-imino-thiazolidin-4-one
SMILES [?]:
c1cc(ccc1Cc2cnc(s2)N3C(=O)CSC3=N)F
InChi [?]:
InChI=1/C13H10FN3OS2/c14-9-3-1-8(2-4-9)5-10-6-16-13(20-10)17-11(18)7-19-12(17)15/h1-4,6,15H,5,7H2
InChi Info:
AuxInfo=1/0/N:1,5,2,4,7,9,16,6,3,8,14,18,11,20,19,10,13,15,17,12/E:(1,2)(3,4)/rA:20nCCCCCCCCCNCSNCOCSCNF/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s9;d10;s8s11;s11;s13;d14;s14;s16;s13s17;w18;s3;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H10FN3OS2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.66333 |
Area: | 466.499 |
Solvation: | -3.99914 |
Coulombic: | -36.6634 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 307.369 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.52 |
LogP (Chemaxon): | 2.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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