Chemical ID: 6970288

c1ccc2c(c1)cccc2OCC(=O)N3CCOCC3
Chemical ID:
6970288
Name [?]:
1-morpholino-2-(1-naphthyloxy)ethanone
SMILES [?]:
c1ccc2c(c1)cccc2OCC(=O)N3CCOCC3
InChi [?]:
InChI=1/C16H17NO3/c18-16(17-8-10-19-11-9-17)12-20-15-7-3-5-13-4-1-2-6-14(13)15/h1-7H,8-12H2
InChi Info:
AuxInfo=1/0/N:1,2,8,6,7,3,9,16,20,17,19,12,5,4,10,13,15,14,18,11/E:(8,9)(10,11)/rA:20nCCCCCCCCCCOCCONCCOCC/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;s11;s12;d13;s13;s15;s16;s17;s18;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H17NO3
All Atoms:37
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:6.21764
Area:461.018
Solvation:-5.30781
Coulombic:-32.8117
Bond Count [?]
All:22
Single:16
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:271.311
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.12
LogP (Chemaxon):1.62

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Experimental Annotations

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Descriptor Annotations

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