ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7522036

Chemical ID:

7522036

Name [?]:

1-cyclopentylamino-3-(4-methoxyphenoxy)-propan-2-ol

SMILES [?]:

COc1ccc(cc1)OCC(CNC2CCCC2)O

InChi [?]:

InChI=1/C15H23NO3/c1-18-14-6-8-15(9-7-14)19-11-13(17)10-16-12-4-2-3-5-12/h6-9,12-13,16-17H,2-5,10-11H2,1H3

InChi Info:

AuxInfo=1/0/N:1,16,17,15,18,4,8,5,7,12,10,14,11,3,6,13,19,2,9/E:(2,3)(4,5)(6,7)(8,9)/rA:19cCOCCCCCCOCCCNCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;s13;s14;s15;s16;s14s17;s11;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₂₃NO₃
All Atoms:	42
Heavy Atoms:	19
Chiral Atoms:	None

ZAP Information [?]

Total:	6.61674
Area:	487.878
Solvation:	-5.5802
Coulombic:	-39.6985

Bond Count [?]

All:	20
Single:	17
Double:	3
Rotors:	7
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	2.05
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

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Chemical Mix	Source	External ID	Descriptor	Value