ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7724663

Chemical ID:

7724663

Name [?]:

None

SMILES [?]:

CCN1CCN(C(=O)C1=O)CC(=O)Nc2ccccc2

InChi [?]:

InChI=1/C14H17N3O3/c1-2-16-8-9-17(14(20)13(16)19)10-12(18)15-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,15,18)

InChi Info:

AuxInfo=1/1/N:1,2,18,17,19,16,20,4,5,11,15,12,9,7,14,3,6,13,10,8/E:(4,5)(6,7)/rA:20nCCNCCNCOCOCCONCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s3s7;d9;s6;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₇N₃O₃
All Atoms:	37
Heavy Atoms:	20
Chiral Atoms:	None

ZAP Information [?]

Total:	7.59515
Area:	467.106
Solvation:	-4.08249
Coulombic:	-57.4511

Bond Count [?]

All:	21
Single:	15
Double:	6
Rotors:	5
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	0.13
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