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Chemical ID: 5069945
Chemical ID:
5069945
Name [?]:
1-(5-fluoro-2-methoxy-phenyl)ethanamine
SMILES [?]:
CC(c1cc(ccc1OC)F)N
InChi [?]:
InChI=1/C9H12FNO/c1-6(11)8-5-7(10)3-4-9(8)12-2/h3-6H,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,6,7,4,2,5,3,8,11,12,9/rA:12cCCCCCCCCOCFN/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s5;s2;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H12FNO |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 5.20032 |
Area: | 321.173 |
Solvation: | -2.82899 |
Coulombic: | -23.478 |
Bond Count [?]
All: | 12 |
Single: | 9 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 169.196 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 1.75 |
LogP (Chemaxon): | 1.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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