ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7638647

Chemical ID:

7638647

Name [?]:

None

SMILES [?]:

Cn1cc2c3c1cccc3C4=CC(CN(C4C2)C)COC

InChi [?]:

InChI=1/C18H22N2O/c1-19-9-12(11-21-3)7-15-14-5-4-6-16-18(14)13(8-17(15)19)10-20(16)2/h4-7,10,12,17H,8-9,11H2,1-3H3

InChi Info:

AuxInfo=1/0/N:18,1,21,8,9,7,12,17,14,3,19,13,4,10,11,6,16,5,15,2,20/rA:21cCNCCCCCCCCCCCCNCCCCOC/rB:s1;s2;d3;s4;s2s5;d6;s7;d8;d5s9;s10;d11;s12;s13;s14;s11s15;s4s16;s15;s13;s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₂₂N₂O
All Atoms:	43
Heavy Atoms:	21
Chiral Atoms:	None

ZAP Information [?]

Total:	8.31204
Area:	463.777
Solvation:	-3.28238
Coulombic:	-19.4538

Bond Count [?]

All:	24
Single:	19
Double:	5
Rotors:	2
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	2.14
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