Chemical ID: 4462527

Cc1ccc(c(c1)OC)OCCCN2CCCCCC2
Chemical ID:
4462527
Name [?]:
1-[3-(2-methoxy-4-methyl-phenoxy)propyl]azepane
SMILES [?]:
Cc1ccc(c(c1)OC)OCCCN2CCCCCC2
InChi [?]:
InChI=1/C17H27NO2/c1-15-8-9-16(17(14-15)19-2)20-13-7-12-18-10-5-3-4-6-11-18/h8-9,14H,3-7,10-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,9,17,18,16,19,12,3,4,15,20,13,11,7,2,5,6,14,8,10/E:(3,4)(5,6)(10,11)/rA:20nCCCCCCCOCOCCCNCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s5;s10;s11;s12;s13;s14;s15;s16;s17;s18;s14s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H27NO2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.14543
Area:497.063
Solvation:-4.28116
Coulombic:-20.4989
Bond Count [?]
All:21
Single:18
Double:3
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:277.402
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.45
LogP (Chemaxon):3.16

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