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Chemical ID: 3997621
Chemical ID:
3997621
Name [?]:
1-(3-fluoro-4-pyrrolidin-1-yl-phenyl)ethanone
SMILES [?]:
CC(=O)c1ccc(c(c1)F)N2CCCC2
InChi [?]:
InChI=1/C12H14FNO/c1-9(15)10-4-5-12(11(13)8-10)14-6-2-3-7-14/h4-5,8H,2-3,6-7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,14,5,6,12,15,9,2,4,8,7,10,11,3/E:(2,3)(6,7)/rA:15nCCOCCCCCCFNCCCC/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s8;s7;s11;s12;s13;s11s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H14FNO |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.7089 |
Area: | 371.898 |
Solvation: | -3.58856 |
Coulombic: | -17.3201 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 207.244 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.74 |
LogP (Chemaxon): | 2.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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