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Chemical ID: 5233884
Chemical ID:
5233884
Name [?]:
diethyl-methyl-(3-oxo-5-phenyl-pent-4-enyl)-ammonium
SMILES [?]:
CC[N+](C)(CC)CCC(=O)C=Cc1ccccc1
InChi [?]:
InChI=1/C16H24NO/c1-4-17(3,5-2)14-13-16(18)12-11-15-9-7-6-8-10-15/h6-12H,4-5,13-14H2,1-3H3/q+1
InChi Info:
AuxInfo=1/0/N:1,6,4,2,5,16,15,17,14,18,12,11,8,7,13,9,3,10/E:(1,2)(4,5)(7,8)(9,10)/CRV:17+1/rA:18nCCN+CCCCCCOCCCCCCCC/rB:s1;s2;s3;s3;s5;s3;s7;s8;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H24NO+ |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -18.2662 |
Area: | 453.256 |
Solvation: | -29.5976 |
Coulombic: | 16.5892 |
Bond Count [?]
All: | 18 |
Single: | 13 |
Double: | 5 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 246.368 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 1.39 |
LogP (Chemaxon): | -1.14 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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