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Chemical ID: 6970288
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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