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Chemical ID: 6190274
Chemical ID:
6190274
Name [?]:
1,5-dimorpholinoanthracene-9,10-dione
SMILES [?]:
c1cc2c(c(c1)N3CCOCC3)C(=O)c4cccc(c4C2=O)N5CCOCC5
InChi [?]:
InChI=1/C22H22N2O4/c25-21-15-3-1-5-17(23-7-11-27-12-8-23)19(15)22(26)16-4-2-6-18(20(16)21)24-9-13-28-14-10-24/h1-6H,7-14H2
InChi Info:
AuxInfo=1/0/N:1,17,2,16,6,18,8,12,24,28,9,11,25,27,3,15,5,19,4,20,21,13,7,23,22,14,10,26/E:(1,2)(3,4)(5,6)(7,8,9,10)(11,12,13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)/rA:28nCCCCCCNCCOCCCOCCCCCCCONCCOCC/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;s7s11;s4;d13;s13;s15;d16;s17;d18;d15s19;s3s20;d21;s19;s23;s24;s25;s26;s23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H22N2O4 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.57352 |
Area: | 546.428 |
Solvation: | -6.08717 |
Coulombic: | -44.6493 |
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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