ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7648822

Chemical ID:

7648822

Name [?]:

None

SMILES [?]:

Cc1cccc2c1Oc3ccccc3C4(C2CN(CC4)C)O

InChi [?]:

InChI=1/C19H21NO2/c1-13-6-5-7-14-16-12-20(2)11-10-19(16,21)15-8-3-4-9-17(15)22-18(13)14/h3-9,16,21H,10-12H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,21,12,11,4,3,5,13,10,20,19,17,2,6,14,16,9,7,15,18,22,8/rA:22cCCCCCCCOCCCCCCCCCNCCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s11;d12;d9s13;s14;s6s15;s16;s17;s18;s15s19;s18;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₁NO₂
All Atoms:	43
Heavy Atoms:	22
Chiral Atoms:	None

ZAP Information [?]

Total:	8.47369
Area:	449.06
Solvation:	-2.75281
Coulombic:	-32.0481

Bond Count [?]

All:	25
Single:	19
Double:	6
Rotors:	0
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	2.42
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