ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7669462

Chemical ID:

7669462

Name [?]:

None

SMILES [?]:

Cc1cc(cc(c1)OCn2ccc(n2)C(=O)NN)C

InChi [?]:

InChI=1/C13H16N4O2/c1-9-5-10(2)7-11(6-9)19-8-17-4-3-12(16-17)13(18)15-14/h3-7H,8,14H2,1-2H3,(H,15,18)

InChi Info:

AuxInfo=1/1/N:1,19,12,11,3,7,5,9,2,4,6,13,15,18,17,14,10,16,8/E:(1,2)(6,7)(9,10)/rA:19nCCCCCCCOCNCCCNCONNC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;d11;s12;s10d13;s13;d15;s15;s17;s4;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₃H₁₆N₄O₂
All Atoms:	35
Heavy Atoms:	19
Chiral Atoms:	None

ZAP Information [?]

Total:	8.26706
Area:	468.683
Solvation:	-3.45003
Coulombic:	-41.7302

Bond Count [?]

All:	20
Single:	14
Double:	6
Rotors:	5
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	1.66
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