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Chemical ID: 6965199
Chemical ID:
6965199
Name [?]:
1-azepan-1-yl-2-(4-methylphenoxy)-ethanone
SMILES [?]:
Cc1ccc(cc1)OCC(=O)N2CCCCCC2
InChi [?]:
InChI=1/C15H21NO2/c1-13-6-8-14(9-7-13)18-12-15(17)16-10-4-2-3-5-11-16/h6-9H,2-5,10-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,15,16,14,17,3,7,4,6,13,18,9,2,5,10,12,11,8/E:(2,3)(4,5)(6,7)(8,9)(10,11)/rA:18nCCCCCCCOCCONCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;s13;s14;s15;s16;s12s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H21NO2 |
All Atoms: | 39 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.38813 |
Area: | 440.811 |
Solvation: | -3.63214 |
Coulombic: | -24.6157 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 247.333 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.91 |
LogP (Chemaxon): | 2.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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