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Chemical ID: 4118983

Chemical ID:

4118983

Name [?]:

1,6-diphenylhexane-1,6-dione

SMILES [?]:

c1ccc(cc1)C(=O)CCCCC(=O)c2ccccc2

InChi [?]:

InChI=1/C18H18O2/c19-17(15-9-3-1-4-10-15)13-7-8-14-18(20)16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2

InChi Info:

AuxInfo=1/0/N:1,18,2,6,17,19,10,11,3,5,16,20,9,12,4,15,7,13,8,14/E:(1,2)(3,4,5,6)(7,8)(9,10,11,12)(13,14)(15,16)(17,18)(19,20)/rA:20nCCCCCCCOCCCCCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₈O₂
All Atoms:	20
Heavy Atoms:	20
Chiral Atoms:	0

ZAP Information [?]

Total:	9.61985
Area:	502.977
Solvation:	-2.95458
Coulombic:	-18.7872

Bond Count [?]

All:	21
Single:	13
Double:	8
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	266.334
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	3.89
LogP (Chemaxon):	3.46

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value