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Chemical ID: 7120368
Chemical ID:
7120368
Name [?]:
cyclopentyl-[(2,4-dimethoxyphenyl)methyl]ammonium
SMILES [?]:
COc1ccc(c(c1)OC)C[NH2+]C2CCCC2
InChi [?]:
InChI=1/C14H21NO2/c1-16-13-8-7-11(14(9-13)17-2)10-15-12-5-3-4-6-12/h7-9,12,15H,3-6,10H2,1-2H3/p+1
InChi Info:
AuxInfo=1/1/N:1,10,15,16,14,17,5,4,8,11,6,13,3,7,12,2,9/E:(3,4)(5,6)/rA:17nCOCCCCCCOCCN+CCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;s11;s12;s13;s14;s15;s13s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H22NO2+ |
All Atoms: | 39 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -21.7708 |
Area: | 433.147 |
Solvation: | -32.5994 |
Coulombic: | 17.1764 |
Bond Count [?]
All: | 18 |
Single: | 15 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 236.33 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 2.62 |
LogP (Chemaxon): | 2.26 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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