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Chemical ID: 4123540
Chemical ID:
4123540
Name [?]:
1-(2-fluorophenyl)-N-(2-pyridylmethyl)methanamine
SMILES [?]:
c1ccc(c(c1)CNCc2ccccn2)F
InChi [?]:
InChI=1/C13H13FN2/c14-13-7-2-1-5-11(13)9-15-10-12-6-3-4-8-16-12/h1-8,15H,9-10H2
InChi Info:
AuxInfo=1/0/N:1,2,12,13,6,11,3,14,7,9,5,10,4,16,8,15/rA:16nCCCCCCCNCCCCCCNF/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;d11;s12;d13;d10s14;s4;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H13FN2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.38849 |
Area: | 404.985 |
Solvation: | -2.73613 |
Coulombic: | -18.8693 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 216.254 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 2.24 |
LogP (Chemaxon): | 2.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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