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Chemical ID: 7509483
Chemical ID:
7509483
Name [?]:
4-fluoro-N-(2-furylmethyl)-2-methyl-aniline
SMILES [?]:
Cc1cc(ccc1NCc2ccco2)F
InChi [?]:
InChI=1/C12H12FNO/c1-9-7-10(13)4-5-12(9)14-8-11-3-2-6-15-11/h2-7,14H,8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,12,11,5,6,13,3,9,2,4,10,7,15,8,14/rA:15nCCCCCCCNCCCCCOF/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s11;d12;s10s13;s4;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H12FNO |
All Atoms: | 27 |
Heavy Atoms: | 15 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 6.51553 |
Area: | 381.661 |
Solvation: | -3.026 |
Coulombic: | -22.5223 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.46 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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