ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7659582

Chemical ID:

7659582

Name [?]:

None

SMILES [?]:

COC(=O)c1ccn(n1)c2ccccc2

InChi [?]:

InChI=1/C11H10N2O2/c1-15-11(14)10-7-8-13(12-10)9-5-3-2-4-6-9/h2-8H,1H3

InChi Info:

AuxInfo=1/0/N:1,13,12,14,11,15,6,7,10,5,3,9,8,4,2/E:(3,4)(5,6)/rA:15nCOCOCCCNNCCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d5s8;s8;s10;d11;s12;d13;d10s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₁H₁₀N₂O₂
All Atoms:	25
Heavy Atoms:	15
Chiral Atoms:	None

ZAP Information [?]

Total:	7.07215
Area:	383.434
Solvation:	-2.51368
Coulombic:	-25.6599

Bond Count [?]

All:	16
Single:	10
Double:	6
Rotors:	3
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	2.02
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