ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7575013

Chemical ID:

7575013

Name [?]:

None

SMILES [?]:

CN(C)C(=O)COC1c2ccccc2CCc3c1cccc3

InChi [?]:

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

InChi Info:

AuxInfo=1/0/N:1,3,12,21,11,20,13,22,10,19,15,16,6,14,17,9,18,4,8,2,5,7/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(14,15)(16,17)/rA:22cCNCCOCOCCCCCCCCCCCCCCC/rB:s1;s2;s2;d4;s4;s6;s7;s8;s9;d10;s11;d12;d9s13;s14;s15;s16;s8s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	8.43365
Area:	477.214
Solvation:	-3.4967
Coulombic:	-28.0214

Bond Count [?]

All:	24
Single:	17
Double:	7
Rotors:	4
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	2.94
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