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Chemical ID: 7274225
Chemical ID:
7274225
Name [?]:
1-[4-(4-fluorophenyl)thiazol-2-yl]pyrrolidin-2-one
SMILES [?]:
c1cc(ccc1c2csc(n2)N3CCCC3=O)F
InChi [?]:
InChI=1/C13H11FN2OS/c14-10-5-3-9(4-6-10)11-8-18-13(15-11)16-7-1-2-12(16)17/h3-6,8H,1-2,7H2
InChi Info:
AuxInfo=1/0/N:14,15,1,5,2,4,13,8,6,3,7,16,10,18,11,12,17,9/E:(3,4)(5,6)/rA:18nCCCCCCCCSCNNCCCCOF/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;s9;s7d10;s10;s12;s13;s14;s12s15;d16;s3;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H11FN2OS |
All Atoms: | 29 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.99954 |
Area: | 424.605 |
Solvation: | -3.6156 |
Coulombic: | -24.9234 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 262.304 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.39 |
LogP (Chemaxon): | 2.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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