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Chemical ID: 6510245
Chemical ID:
6510245
Name [?]:
1,4-bis(pentylamino)anthracene-9,10-dione
SMILES [?]:
CCCCCNc1ccc(c2c1C(=O)c3ccccc3C2=O)NCCCCC
InChi [?]:
InChI=1/C24H30N2O2/c1-3-5-9-15-25-19-13-14-20(26-16-10-6-4-2)22-21(19)23(27)17-11-7-8-12-18(17)24(22)28/h7-8,11-14,25-26H,3-6,9-10,15-16H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,28,2,27,3,26,17,18,4,25,16,19,8,9,5,24,15,20,7,10,12,11,13,21,6,23,14,22/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:28nCCCCCNCCCCCCCOCCCCCCCONCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s11s20;d21;s10;s23;s24;s25;s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H30N2O2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.6022 |
Area: | 645.921 |
Solvation: | -2.54581 |
Coulombic: | -43.1591 |
Bond Count [?]
All: | 30 |
Single: | 22 |
Double: | 8 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 378.507 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 5.81 |
LogP (Chemaxon): | 6.1 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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