ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 5028987

Chemical ID:

5028987

Name [?]:

1-morpholino-2-(4-propylphenyl)-ethanone

SMILES [?]:

CCCc1ccc(cc1)CC(=O)N2CCOCC2

InChi [?]:

InChI=1/C15H21NO2/c1-2-3-13-4-6-14(7-5-13)12-15(17)16-8-10-18-11-9-16/h4-7H,2-3,8-12H2,1H3

InChi Info:

AuxInfo=1/0/N:1,2,3,5,9,6,8,14,18,15,17,10,4,7,11,13,12,16/E:(4,5)(6,7)(8,9)(10,11)/rA:18nCCCCCCCCCCCONCCOCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;s15;s16;s13s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₂₁NO₂
All Atoms:	18
Heavy Atoms:	18
Chiral Atoms:	0

ZAP Information [?]

Total:	7.75807
Area:	455.984
Solvation:	-3.64155
Coulombic:	-24.7649

Bond Count [?]

All:	19
Single:	15
Double:	4
Rotors:	5
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	247.333
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	2.45
LogP (Chemaxon):	2.22

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value