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Chemical ID: 5869187

Chemical ID:

5869187

Name [?]:

(4-benzyloxy-3-methoxy-phenyl)-morpholino-methanone

SMILES [?]:

COc1cc(ccc1OCc2ccccc2)C(=O)N3CCOCC3

InChi [?]:

InChI=1/C19H21NO4/c1-22-18-13-16(19(21)20-9-11-23-12-10-20)7-8-17(18)24-14-15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3

InChi Info:

AuxInfo=1/0/N:1,14,13,15,12,16,6,7,20,24,21,23,4,10,11,5,8,3,17,19,18,2,22,9/E:(3,4)(5,6)(9,10)(11,12)/rA:24nCOCCCCCCOCCCCCCCCONCCOCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s5;d17;s17;s19;s20;s21;s22;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₁NO₄
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	6.73443
Area:	538.966
Solvation:	-6.73973
Coulombic:	-40.3575

Bond Count [?]

All:	26
Single:	19
Double:	7
Rotors:	6
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	327.374
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	2.44
LogP (Chemaxon):	2.12

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value