ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7661260

Chemical ID:

7661260

Name [?]:

None

SMILES [?]:

CC(C)(C)c1ccc(cc1)Cn2c3ccccc3nc2COC

InChi [?]:

InChI=1/C20H24N2O/c1-20(2,3)16-11-9-15(10-12-16)13-22-18-8-6-5-7-17(18)21-19(22)14-23-4/h5-12H,13-14H2,1-4H3

InChi Info:

AuxInfo=1/0/N:1,3,4,23,16,15,17,14,7,9,6,10,11,21,8,5,18,13,20,2,19,12,22/E:(1,2,3)(9,10)(11,12)/rA:23nCCCCCCCCCCCNCCCCCCNCCOC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;s11;s12;s13;d14;s15;d16;d13s17;s18;s12d19;s20;s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₄N₂O
All Atoms:	47
Heavy Atoms:	23
Chiral Atoms:	None

ZAP Information [?]

Total:	9.21427
Area:	511.343
Solvation:	-3.56931
Coulombic:	-22.5908

Bond Count [?]

All:	25
Single:	18
Double:	7
Rotors:	5
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	4.87
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