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Chemical ID: 4173328

Chemical ID:

4173328

Name [?]:

1-cyclohexylaminoanthracene-9,10-dione

SMILES [?]:

c1ccc2c(c1)C(=O)c3cccc(c3C2=O)NC4CCCCC4

InChi [?]:

InChI=1/C20H19NO2/c22-19-14-9-4-5-10-15(14)20(23)18-16(19)11-6-12-17(18)21-13-7-2-1-3-8-13/h4-6,9-13,21H,1-3,7-8H2

InChi Info:

AuxInfo=1/0/N:21,20,22,1,2,11,19,23,6,3,10,12,18,5,4,9,13,14,7,15,17,8,16/E:(2,3)(7,8)/rA:23nCCCCCCCOCCCCCCCONCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;d10;s11;d12;d9s13;s4s14;d15;s13;s17;s18;s19;s20;s21;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₁₉NO₂
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	10.0226
Area:	487.965
Solvation:	-2.17649
Coulombic:	-31.0753

Bond Count [?]

All:	26
Single:	18
Double:	8
Rotors:	2
Chiral:	0
Rigid Segments:	2

Chemical Properties

Molecular Weight:	305.37
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	4.58
LogP (Chemaxon):	4.25

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