Chemical ID: 5771350

CCCCOc1ccc(cc1)C(=O)CCN2CCOCC2
Chemical ID:
5771350
Name [?]:
1-(4-butoxyphenyl)-3-morpholino-propan-1-one
SMILES [?]:
CCCCOc1ccc(cc1)C(=O)CCN2CCOCC2
InChi [?]:
InChI=1/C17H25NO3/c1-2-3-12-21-16-6-4-15(5-7-16)17(19)8-9-18-10-13-20-14-11-18/h4-7H,2-3,8-14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,8,10,7,11,14,15,17,21,4,18,20,9,6,12,16,13,19,5/E:(4,5)(6,7)(10,11)(13,14)/rA:21nCCCCOCCCCCCCOCCNCCOCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;s15;s16;s17;s18;s19;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H25NO3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.7685
Area:531.071
Solvation:-4.50827
Coulombic:-29.0851
Bond Count [?]
All:22
Single:18
Double:4
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:291.385
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.41
LogP (Chemaxon):2.02

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Descriptor Annotations

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