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Chemical ID: 4195143
Chemical ID:
4195143
Name [?]:
1-[3-fluoro-4-(4-methyl-1-piperidyl)-phenyl]ethanone
SMILES [?]:
CC1CCN(CC1)c2ccc(cc2F)C(=O)C
InChi [?]:
InChI=1/C14H18FNO/c1-10-5-7-16(8-6-10)14-4-3-12(11(2)17)9-13(14)15/h3-4,9-10H,5-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,17,10,9,3,7,4,6,12,2,15,11,13,8,14,5,16/E:(5,6)(7,8)/rA:17nCCCCNCCCCCCCCFCOC/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;d9;s10;d11;d8s12;s13;s11;d15;s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H18FNO |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.91503 |
Area: | 413.249 |
Solvation: | -3.41621 |
Coulombic: | -17.9419 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 235.297 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.6 |
LogP (Chemaxon): | 2.81 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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