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Chemical ID: 7221448
Chemical ID:
7221448
Name [?]:
None
SMILES [?]:
CCOc1ccc(cc1OCC)Cc2nc3c4ccccc4ncn3n2
InChi [?]:
InChI=1/C20H20N4O2/c1-3-25-17-10-9-14(11-18(17)26-4-2)12-19-22-20-15-7-5-6-8-16(15)21-13-24(20)23-19/h5-11,13H,3-4,12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,2,11,19,20,18,21,6,5,8,13,24,7,17,22,4,9,14,16,23,15,26,25,3,10/rA:26nCCOCCCCCCOCCCCNCCCCCCCNCNN/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s7;s13;s14;d15;s16;s17;d18;s19;d20;d17s21;s22;d23;s16s24;d14s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H20N4O2 |
All Atoms: | 46 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.26105 |
Area: | 573.396 |
Solvation: | -5.07386 |
Coulombic: | -32.1349 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 348.399 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.45 |
LogP (Chemaxon): | 4.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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