Chemical ID: 4288526

CCOc1cccc(c1O)CN2CCCCCC2
Chemical ID:
4288526
Name [?]:
2-(azepan-1-ylmethyl)-6-ethoxy-phenol
SMILES [?]:
CCOc1cccc(c1O)CN2CCCCCC2
InChi [?]:
InChI=1/C15H23NO2/c1-2-18-14-9-7-8-13(15(14)17)12-16-10-5-3-4-6-11-16/h7-9,17H,2-6,10-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,15,16,14,17,6,7,5,13,18,11,8,4,9,12,10,3/E:(3,4)(5,6)(10,11)/rA:18nCCOCCCCCCOCNCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s8;s11;s12;s13;s14;s15;s16;s12s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H23NO2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.20932
Area:443.106
Solvation:-3.86833
Coulombic:-29.1238
Bond Count [?]
All:19
Single:16
Double:3
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:249.349
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.93
LogP (Chemaxon):2.86

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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