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Chemical ID: 4179552

Chemical ID:

4179552

Name [?]:

1-methylamino-4-morpholino-anthracene-9,10-dione

SMILES [?]:

CNc1ccc(c2c1C(=O)c3ccccc3C2=O)N4CCOCC4

InChi [?]:

InChI=1/C19H18N2O3/c1-20-14-6-7-15(21-8-10-24-11-9-21)17-16(14)18(22)12-4-2-3-5-13(12)19(17)23/h2-7,20H,8-11H2,1H3

InChi Info:

AuxInfo=1/0/N:1,13,14,12,15,4,5,20,24,21,23,11,16,3,6,8,7,9,17,2,19,10,18,22/E:(8,9)(10,11)/rA:24nCNCCCCCCCOCCCCCCCONCCOCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s7s16;d17;s6;s19;s20;s21;s22;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₁₈N₂O₃
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	7.86241
Area:	489.383
Solvation:	-4.37217
Coulombic:	-42.6026

Bond Count [?]

All:	27
Single:	19
Double:	8
Rotors:	2
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	322.358
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	2.56
LogP (Chemaxon):	2.59

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