ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7658513

Chemical ID:

7658513

Name [?]:

None

SMILES [?]:

c1cc(cnc1)C(=O)N2CCN(CC2)CCC(=O)N

InChi [?]:

InChI=1/C13H18N4O2/c14-12(18)3-5-16-6-8-17(9-7-16)13(19)11-2-1-4-15-10-11/h1-2,4,10H,3,5-9H2,(H2,14,18)

InChi Info:

AuxInfo=1/1/N:1,2,16,6,15,11,13,10,14,4,3,17,7,19,5,12,9,18,8/E:(6,7)(8,9)/rA:19nCCCCNCCONCCNCCCCCON/rB:s1;d2;s3;d4;d1s5;s3;d7;s7;s9;s10;s11;s12;s9s13;s12;s15;s16;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₃H₁₈N₄O₂
All Atoms:	37
Heavy Atoms:	19
Chiral Atoms:	None

ZAP Information [?]

Total:	7.73939
Area:	456.791
Solvation:	-3.68037
Coulombic:	-49.9712

Bond Count [?]

All:	20
Single:	15
Double:	5
Rotors:	5
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	-1.23
LogP (Chemaxon):	None

Name Annotations

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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