ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7655284

Chemical ID:

7655284

Name [?]:

None

SMILES [?]:

COC(=O)C(CO)NCc1ccccc1O

InChi [?]:

InChI=1/C11H15NO4/c1-16-11(15)9(7-13)12-6-8-4-2-3-5-10(8)14/h2-5,9,12-14H,6-7H2,1H3

InChi Info:

AuxInfo=1/0/N:1,12,13,11,14,9,6,10,5,15,3,8,7,16,4,2/rA:16cCOCOCCONCCCCCCCO/rB:s1;s2;d3;s3;s5;s6;s5;s8;s9;s10;d11;s12;d13;d10s14;s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₁H₁₅NO₄
All Atoms:	31
Heavy Atoms:	16
Chiral Atoms:	None

ZAP Information [?]

Total:	5.39825
Area:	410.269
Solvation:	-4.85846
Coulombic:	-60.2256

Bond Count [?]

All:	16
Single:	12
Double:	4
Rotors:	6
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	0.23
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

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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