ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7575161

Chemical ID:

7575161

Name [?]:

None

SMILES [?]:

c1ccc2c(c1)CCc3ccccc3C2NCCCCCCC(=O)O

InChi [?]:

InChI=1/C22H27NO2/c24-21(25)13-3-1-2-8-16-23-22-19-11-6-4-9-17(19)14-15-18-10-5-7-12-20(18)22/h4-7,9-12,22-23H,1-3,8,13-16H2,(H,24,25)

InChi Info:

AuxInfo=1/1/N:20,19,21,1,11,2,12,18,6,10,3,13,22,7,8,17,5,9,4,14,23,15,16,24,25/E:(4,5)(6,7)(9,10)(11,12)(14,15)(17,18)(19,20)(24,25)/rA:25nCCCCCCCCCCCCCCCNCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;d10;s11;d12;d9s13;s4s14;s15;s16;s17;s18;s19;s20;s21;s22;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₇NO₂
All Atoms:	52
Heavy Atoms:	25
Chiral Atoms:	None

ZAP Information [?]

Total:	11.8175
Area:	572.801
Solvation:	-2.50252
Coulombic:	-38.3819

Bond Count [?]

All:	27
Single:	20
Double:	7
Rotors:	8
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	4.62
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