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Chemical ID: 7682327
Chemical ID:
7682327
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)C=Nc3c(ncnc3O2)N4CCOCC4
InChi [?]:
InChI=1/C15H14N4O2/c1-2-4-12-11(3-1)9-16-13-14(17-10-18-15(13)21-12)19-5-7-20-8-6-19/h1-4,9-10H,5-8H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,17,21,18,20,7,12,5,4,9,10,14,8,11,13,16,19,15/E:(5,6)(7,8)/rA:21nCCCCCCCNCCNCNCONCCOCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;s9;d10;s11;d12;d9s13;s4s14;s10;s16;s17;s18;s19;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14N4O2 |
All Atoms: | 35 |
Heavy Atoms: | 21 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.4436 |
Area: | 439.991 |
Solvation: | -3.55617 |
Coulombic: | -41.106 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 1 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.81 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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