ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7541595

Chemical ID:

7541595

Name [?]:

None

SMILES [?]:

c1ccc2c(c1)ccc3c2cc(o3)C(=O)N4CCCCC4

InChi [?]:

InChI=1/C18H17NO2/c20-18(19-10-4-1-5-11-19)17-12-15-14-7-3-2-6-13(14)8-9-16(15)21-17/h2-3,6-9,12H,1,4-5,10-11H2

InChi Info:

AuxInfo=1/0/N:19,1,2,18,20,6,3,7,8,17,21,11,5,4,10,9,12,14,16,15,13/E:(4,5)(10,11)/rA:21nCCCCCCCCCCCCOCONCCCCC/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;d11;s9s12;s12;d14;s14;s16;s17;s18;s19;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₇NO₂
All Atoms:	38
Heavy Atoms:	21
Chiral Atoms:	None

ZAP Information [?]

Total:	9.67677
Area:	459.227
Solvation:	-1.80389
Coulombic:	-28.6712

Bond Count [?]

All:	24
Single:	17
Double:	7
Rotors:	2
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.75
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