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Chemical ID: 7336567

Chemical ID:

7336567

Name [?]:

1-(2,5-dichlorophenoxy)-3-(1,5-dimethylhexylamino)propan-2-ol

SMILES [?]:

CC(C)CCCC(C)NCC(COc1cc(ccc1Cl)Cl)O

InChi [?]:

InChI=1/C17H27Cl2NO2/c1-12(2)5-4-6-13(3)20-10-15(21)11-22-17-9-14(18)7-8-16(17)19/h7-9,12-13,15,20-21H,4-6,10-11H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,3,8,5,4,6,17,18,15,10,12,2,7,16,11,19,14,21,20,9,22,13/E:(1,2)/rA:22cCCCCCCCCNCCCOCCCCCCClClO/rB:s1;s2;s2;s4;s5;s6;s7;s7;s9;s10;s11;s12;s13;s14;d15;s16;d17;d14s18;s19;s16;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₂₇Cl₂NO₂
All Atoms:	49
Heavy Atoms:	22
Chiral Atoms:	2

ZAP Information [?]

Total:	10.6569
Area:	606.169
Solvation:	-4.49733
Coulombic:	-34.733

Bond Count [?]

All:	22
Single:	19
Double:	3
Rotors:	10
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	348.307
H-Bond Donors:	2
H-Bond Acceptors:	3
XLogP:	5.58
LogP (Chemaxon):	4.82

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

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Chemical Mix	Source	External ID	Descriptor	Value