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Chemical ID: 7662810

c1ccc(cc1)CC2CCN(CC2)CC(COCCOc3ccc(cc3)Br)O

Chemical ID:

7662810

Name [?]:

None

SMILES [?]:

c1ccc(cc1)CC2CCN(CC2)CC(COCCOc3ccc(cc3)Br)O

InChi [?]:

InChI=1/C23H30BrNO3/c24-21-6-8-23(9-7-21)28-15-14-27-18-22(26)17-25-12-10-20(11-13-25)16-19-4-2-1-3-5-19/h1-9,20,22,26H,10-18H2

InChi Info:

AuxInfo=1/0/N:1,2,6,3,5,23,25,22,26,9,13,10,12,18,19,7,14,16,4,8,24,15,21,27,11,28,17,20/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:28cCCCCCCCCCCNCCCCCOCCOCCCCCCBrO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s8s12;s11;s14;s15;s16;s17;s18;s19;s20;s21;d22;s23;d24;d21s25;s24;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₃₀BrNO₃
All Atoms:	58
Heavy Atoms:	28
Chiral Atoms:	None

ZAP Information [?]

Total:	9.67765
Area:	669.536
Solvation:	-7.06074
Coulombic:	-37.9757

Bond Count [?]

All:	30
Single:	24
Double:	6
Rotors:	10
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	4.54
LogP (Chemaxon):	None

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