Chemical ID: 6204655

c1cc2c(c(c1)N3CCOCC3)C(=O)c4c(cccc4N5CCOCC5)C2=O
Chemical ID:
6204655
Name [?]:
1,8-dimorpholinoanthracene-9,10-dione
SMILES [?]:
c1cc2c(c(c1)N3CCOCC3)C(=O)c4c(cccc4N5CCOCC5)C2=O
InChi [?]:
InChI=1/C22H22N2O4/c25-21-15-3-1-5-17(23-7-11-27-12-8-23)19(15)22(26)20-16(21)4-2-6-18(20)24-9-13-28-14-10-24/h1-6H,7-14H2
InChi Info:
AuxInfo=1/0/N:1,18,2,17,6,19,8,12,22,26,9,11,23,25,3,16,5,20,4,15,27,13,7,21,28,14,10,24/E:(1,2)(3,4)(5,6)(7,8,9,10)(11,12,13,14)(15,16)(17,18)(19,20)(23,24)(27,28)/rA:28nCCCCCCNCCOCCCOCCCCCCNCCOCCCO/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;s7s11;s4;d13;s13;s15;d16;s17;d18;d15s19;s20;s21;s22;s23;s24;s21s25;s3s16;d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H22N2O4
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:7.44332
Area:545.98
Solvation:-6.20618
Coulombic:-44.5082
Bond Count [?]
All:32
Single:24
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:378.421
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:2.73
LogP (Chemaxon):2.29

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Descriptor Annotations

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