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Chemical ID: 7521154

CC(=O)c1ccccc1OCC(CN2CCN(CC2)Cc3ccccc3)O

Chemical ID:

7521154

Name [?]:

1-[2-[3-(4-benzylpiperazin-1-yl)-2-hydroxy-propoxy]phenyl]ethanone

SMILES [?]:

CC(=O)c1ccccc1OCC(CN2CCN(CC2)Cc3ccccc3)O

InChi [?]:

InChI=1/C22H28N2O3/c1-18(25)21-9-5-6-10-22(21)27-17-20(26)16-24-13-11-23(12-14-24)15-19-7-3-2-4-8-19/h2-10,20,26H,11-17H2,1H3

InChi Info:

AuxInfo=1/0/N:1,24,23,25,6,7,22,26,5,8,16,18,15,19,20,13,11,2,21,12,4,9,17,14,3,27,10/E:(3,4)(7,8)(11,12)(13,14)/rA:27cCCOCCCCCCOCCCNCCNCCCCCCCCCO/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s14s18;s17;s20;s21;d22;s23;d24;d21s25;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₈N₂O₃
All Atoms:	55
Heavy Atoms:	27
Chiral Atoms:	None

ZAP Information [?]

Total:	7.76435
Area:	611.013
Solvation:	-7.51097
Coulombic:	-40.4186

Bond Count [?]

All:	29
Single:	22
Double:	7
Rotors:	8
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	2.31
LogP (Chemaxon):	None

Name Annotations

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

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