ChemicalDetail: Details for an Individual Chemical

Download

Chemical ID: 7655422

Chemical ID:

7655422

Name [?]:

None

SMILES [?]:

c1cc(cc(c1)N2CCOCC2)C(=O)O

InChi [?]:

InChI=1/C11H13NO3/c13-11(14)9-2-1-3-10(8-9)12-4-6-15-7-5-12/h1-3,8H,4-7H2,(H,13,14)

InChi Info:

AuxInfo=1/1/N:1,2,6,8,12,9,11,4,3,5,13,7,14,15,10/E:(4,5)(6,7)(13,14)/rA:15nCCCCCCNCCOCCCOO/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;s7s11;s3;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₁H₁₃NO₃
All Atoms:	28
Heavy Atoms:	15
Chiral Atoms:	None

ZAP Information [?]

Total:	6.06906
Area:	373.849
Solvation:	-3.27716
Coulombic:	-42.2719

Bond Count [?]

All:	16
Single:	12
Double:	4
Rotors:	2
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	1.45
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