ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7681434

Chemical ID:

7681434

Name [?]:

None

SMILES [?]:

C1CCC2C(C1)NC=C3C(=N2)CCCC3=O

InChi [?]:

InChI=1/C13H18N2O/c16-13-7-3-6-10-9(13)8-14-11-4-1-2-5-12(11)15-10/h8,11-12,14H,1-7H2

InChi Info:

AuxInfo=1/0/N:1,2,13,6,3,12,14,8,9,10,5,4,15,7,11,16/rA:16cCCCCCCNCCCNCCCCO/rB:s1;s2;s3;s4;s1s5;s5;s7;d8;s9;s4d10;s10;s12;s13;s9s14;d15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₃H₁₈N₂O
All Atoms:	34
Heavy Atoms:	16
Chiral Atoms:	None

ZAP Information [?]

Total:	7.32547
Area:	369.262
Solvation:	-1.90608
Coulombic:	-24.6797

Bond Count [?]

All:	18
Single:	15
Double:	3
Rotors:	0
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	1.08
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