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Chemical ID: 4982864
Chemical ID:
4982864
Name [?]:
2-(1-ethyl-3,4,5,6-tetrahydro-2H-pyridin-1-yl)-1-(4-fluorophenyl)-ethanone
SMILES [?]:
CC[N+]1(CCCCC1)CC(=O)c2ccc(cc2)F
InChi [?]:
InChI=1/C15H21FNO/c1-2-17(10-4-3-5-11-17)12-15(18)13-6-8-14(16)9-7-13/h6-9H,2-5,10-12H2,1H3/q+1
InChi Info:
AuxInfo=1/0/N:1,2,6,5,7,13,17,14,16,4,8,9,12,15,10,18,3,11/E:(4,5)(6,7)(8,9)(10,11)/CRV:17+1/rA:18nCCN+CCCCCCCOCCCCCCF/rB:s1;s2;s3;s4;s5;s6;s3s7;s3;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H21FNO+ |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -18.6003 |
Area: | 418.553 |
Solvation: | -29.0641 |
Coulombic: | 12.817 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 250.332 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 1.56 |
LogP (Chemaxon): | -2.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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