Chemical ID: 4415180

C=CCc1cc(ccc1OCCCN2CCOCC2)Cl
Chemical ID:
4415180
Name [?]:
4-[3-(2-allyl-4-chloro-phenoxy)propyl]morpholine
SMILES [?]:
C=CCc1cc(ccc1OCCCN2CCOCC2)Cl
InChi [?]:
InChI=1/C16H22ClNO2/c1-2-4-14-13-15(17)5-6-16(14)20-10-3-7-18-8-11-19-12-9-18/h2,5-6,13H,1,3-4,7-12H2
InChi Info:
AuxInfo=1/0/N:1,2,12,3,7,8,13,15,19,11,16,18,5,4,6,9,20,14,17,10/E:(8,9)(11,12)/rA:20nCCCCCCCCCOCCCNCCOCCCl/rB:d1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s14s18;s6;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H22ClNO2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.47226
Area:525.395
Solvation:-3.66263
Coulombic:-23.2068
Bond Count [?]
All:21
Single:17
Double:4
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:295.804
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.45
LogP (Chemaxon):3.05

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Descriptor Annotations

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