Chemical ID: 6965199

Cc1ccc(cc1)OCC(=O)N2CCCCCC2
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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