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Chemical ID: 7109143
Chemical ID:
7109143
Name [?]:
N-[[5-(4-fluorophenyl)-2-furyl]methyl]methanamine
SMILES [?]:
CNCc1ccc(o1)c2ccc(cc2)F
InChi [?]:
InChI=1/C12H12FNO/c1-14-8-11-6-7-12(15-11)9-2-4-10(13)5-3-9/h2-7,14H,8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,10,14,11,13,5,6,3,9,12,4,7,15,2,8/E:(2,3)(4,5)/rA:15nCNCCCCCOCCCCCCF/rB:s1;s2;s3;d4;s5;d6;s4s7;s7;s9;d10;s11;d12;d9s13;s12;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H12FNO |
All Atoms: | 27 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.74767 |
Area: | 383.404 |
Solvation: | -2.83744 |
Coulombic: | -20.7921 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 205.228 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 2.35 |
LogP (Chemaxon): | 2.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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