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Chemical ID: 3967473
Chemical ID:
3967473
Name [?]:
trimethyl-[(5-methyl-2-furyl)methyl]ammonium
SMILES [?]:
Cc1ccc(o1)C[N+](C)(C)C
InChi [?]:
InChI=1/C9H16NO/c1-8-5-6-9(11-8)7-10(2,3)4/h5-6H,7H2,1-4H3/q+1
InChi Info:
AuxInfo=1/0/N:1,9,10,11,3,4,7,2,5,8,6/E:(2,3,4)/CRV:10+1/rA:11nCCCCCOCN+CCC/rB:s1;d2;s3;d4;s2s5;s5;s7;s8;s8;s8;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H16NO+ |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -20.8906 |
Area: | 321.367 |
Solvation: | -28.9248 |
Coulombic: | 17.7286 |
Bond Count [?]
All: | 11 |
Single: | 9 |
Double: | 2 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 154.229 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | -0.57 |
LogP (Chemaxon): | -3.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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