ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7655043

Chemical ID:

7655043

Name [?]:

None

SMILES [?]:

c1ccc(cc1)COC(=O)N2CCC(CC2)CCCC(=O)O

InChi [?]:

InChI=1/C17H23NO4/c19-16(20)8-4-7-14-9-11-18(12-10-14)17(21)22-13-15-5-2-1-3-6-15/h1-3,5-6,14H,4,7-13H2,(H,19,20)

InChi Info:

AuxInfo=1/1/N:1,2,6,18,3,5,17,19,13,15,12,16,7,14,4,20,9,11,21,22,10,8/E:(2,3)(5,6)(9,10)(11,12)(19,20)/rA:22nCCCCCCCOCONCCCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;s13;s14;s11s15;s14;s17;s18;s19;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₂₃NO₄
All Atoms:	45
Heavy Atoms:	22
Chiral Atoms:	None

ZAP Information [?]

Total:	10.5115
Area:	543.114
Solvation:	-3.06633
Coulombic:	-57.0051

Bond Count [?]

All:	23
Single:	18
Double:	5
Rotors:	8
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	2.94
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