ChemicalDetail: Details for an Individual Chemical

Download

Chemical ID: 7654776

Chemical ID:

7654776

Name [?]:

None

SMILES [?]:

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

InChi [?]:

InChI=1/C15H19NO5/c17-14(18)11-20-13-6-8-16(9-7-13)15(19)21-10-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,17,18)

InChi Info:

AuxInfo=1/1/N:1,2,6,3,5,13,15,12,16,7,18,4,14,19,9,11,20,21,10,17,8/E:(2,3)(4,5)(6,7)(8,9)(17,18)/rA:21nCCCCCCCOCONCCCCCOCCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;s13;s14;s11s15;s14;s17;s18;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₉NO₅
All Atoms:	40
Heavy Atoms:	21
Chiral Atoms:	None

ZAP Information [?]

Total:	8.02621
Area:	514.431
Solvation:	-4.83457
Coulombic:	-64.7069

Bond Count [?]

All:	22
Single:	17
Double:	5
Rotors:	7
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	1.47
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