ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7655431

Chemical ID:

7655431

Name [?]:

None

SMILES [?]:

CN1CCN(c2c1ccc(c2)C(=O)O)C

InChi [?]:

InChI=1/C11H14N2O2/c1-12-5-6-13(2)10-7-8(11(14)15)3-4-9(10)12/h3-4,7H,5-6H2,1-2H3,(H,14,15)

InChi Info:

AuxInfo=1/1/N:1,15,9,8,3,4,11,10,7,6,12,2,5,13,14/E:(14,15)/rA:15cCNCCNCCCCCCCOOC/rB:s1;s2;s3;s4;s5;s2s6;d7;s8;d9;d6s10;s10;d12;s12;s5;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₁H₁₄N₂O₂
All Atoms:	29
Heavy Atoms:	15
Chiral Atoms:	None

ZAP Information [?]

Total:	6.66758
Area:	365.421
Solvation:	-2.46795
Coulombic:	-40.1273

Bond Count [?]

All:	16
Single:	12
Double:	4
Rotors:	1
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	1.85
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