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Chemical ID: 6458908
Chemical ID:
6458908
Name [?]:
1-[1-[(4-fluorophenyl)methoxy]ethyl]imidazole
SMILES [?]:
CC(n1ccnc1)OCc2ccc(cc2)F
InChi [?]:
InChI=1/C12H13FN2O/c1-10(15-7-6-14-9-15)16-8-11-2-4-12(13)5-3-11/h2-7,9-10H,8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,11,15,12,14,5,4,9,7,2,10,13,16,6,3,8/E:(2,3)(4,5)/rA:16cCCNCCNCOCCCCCCCF/rB:s1;s2;s3;d4;s5;s3d6;s2;s8;s9;s10;d11;s12;d13;d10s14;s13;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H13FN2O |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 5.94982 |
Area: | 404.502 |
Solvation: | -4.16274 |
Coulombic: | -22.2854 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 220.243 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 2.54 |
LogP (Chemaxon): | 2.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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