ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7597251

Chemical ID:

7597251

Name [?]:

None

SMILES [?]:

CN1C2CCC1CC(C2)OC3c4ccccc4C=Cc5c3cccn5

InChi [?]:

InChI=1/C22H24N2O/c1-24-16-9-10-17(24)14-18(13-16)25-22-19-6-3-2-5-15(19)8-11-21-20(22)7-4-12-23-21/h2-8,11-12,16-18,22H,9-10,13-14H2,1H3

InChi Info:

AuxInfo=1/0/N:1,15,14,23,16,13,22,18,4,5,19,24,9,7,17,3,6,8,12,21,20,11,25,2,10/E:(9,10)(13,14)(16,17)/rA:25cCNCCCCCCCOCCCCCCCCCCCCCCN/rB:s1;s2;s3;s4;s2s5;s6;s7;s3s8;s8;s10;s11;s12;d13;s14;d15;d12s16;s17;d18;s19;s11s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₄N₂O
All Atoms:	49
Heavy Atoms:	25
Chiral Atoms:	None

ZAP Information [?]

Total:	10.3173
Area:	514.708
Solvation:	-2.55044
Coulombic:	-21.1889

Bond Count [?]

All:	29
Single:	22
Double:	7
Rotors:	2
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.31
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