ChemicalDetail: Details for an Individual Chemical

Download

Chemical ID: 7709634

Chemical ID:

7709634

Name [?]:

None

SMILES [?]:

CCc1ccc(cc1)OCCOCC(CN2CCCC(C2)C)O

InChi [?]:

InChI=1/C19H31NO3/c1-3-17-6-8-19(9-7-17)23-12-11-22-15-18(21)14-20-10-4-5-16(2)13-20/h6-9,16,18,21H,3-5,10-15H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,22,2,18,19,4,8,5,7,17,11,10,21,15,13,20,3,14,6,16,23,12,9/E:(6,7)(8,9)/rA:23cCCCCCCCCOCCOCCCNCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;s16s20;s20;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₃₁NO₃
All Atoms:	54
Heavy Atoms:	23
Chiral Atoms:	None

ZAP Information [?]

Total:	7.95857
Area:	579.788
Solvation:	-6.53614
Coulombic:	-36.9268

Bond Count [?]

All:	24
Single:	21
Double:	3
Rotors:	9
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	2.99
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

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

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