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Chemical ID: 6598143
Chemical ID:
6598143
Name [?]:
2-cycloheptylamino-1-(4-methoxyphenyl)-ethanone
SMILES [?]:
COc1ccc(cc1)C(=O)CNC2CCCCCC2
InChi [?]:
InChI=1/C16H23NO2/c1-19-15-10-8-13(9-11-15)16(18)12-17-14-6-4-2-3-5-7-14/h8-11,14,17H,2-7,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,16,17,15,18,14,19,5,7,4,8,11,6,13,3,9,12,10,2/E:(2,3)(4,5)(6,7)(8,9)(10,11)/rA:19nCOCCCCCCCOCNCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;s13;s14;s15;s16;s17;s13s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H23NO2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.12928 |
Area: | 471.261 |
Solvation: | -3.65225 |
Coulombic: | -25.0471 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 261.359 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.46 |
LogP (Chemaxon): | 2.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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