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Chemical ID: 6708310

Chemical ID:

6708310

Name [?]:

1-(4-isopropyl-2,3,5,6-tetrahydropyrazin-1-yl)-2-phenoxy-ethanone

SMILES [?]:

CC(C)[NH+]1CCN(CC1)C(=O)COc2ccccc2

InChi [?]:

InChI=1/C15H22N2O2/c1-13(2)16-8-10-17(11-9-16)15(18)12-19-14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3/p+1

InChi Info:

AuxInfo=1/1/N:1,3,17,16,18,15,19,5,9,6,8,12,2,14,10,4,7,11,13/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:19nCCCN+CCNCCCOCOCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s4s8;s7;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₂₃N₂O₂₊
All Atoms:	19
Heavy Atoms:	19
Chiral Atoms:	0

ZAP Information [?]

Total:	-22.448
Area:	466.078
Solvation:	-34.0999
Coulombic:	6.83235

Bond Count [?]

All:	20
Single:	16
Double:	4
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	263.355
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	1.78
LogP (Chemaxon):	1.52

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value