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Chemical ID: 5759520

Chemical ID:

5759520

Name [?]:

1-phenyl-2-(4-phenylazophenoxy)-ethanone

SMILES [?]:

c1ccc(cc1)C(=O)COc2ccc(cc2)N=Nc3ccccc3

InChi [?]:

InChI=1/C20H16N2O2/c23-20(16-7-3-1-4-8-16)15-24-19-13-11-18(12-14-19)22-21-17-9-5-2-6-10-17/h1-14H,15H2

InChi Info:

AuxInfo=1/0/N:1,22,2,6,21,23,3,5,20,24,13,15,12,16,9,4,19,14,11,7,18,17,8,10/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:24nCCCCCCCOCOCCCCCCNNCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s14;w17;s18;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₁₆N₂O₂
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	8.36487
Area:	525.773
Solvation:	-4.77944
Coulombic:	-21.3175

Bond Count [?]

All:	26
Single:	15
Double:	11
Rotors:	6
Chiral:	1
Rigid Segments:	6

Chemical Properties

Molecular Weight:	316.353
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	5.38
LogP (Chemaxon):	5.16

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value