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Chemical ID: 7677854
Chemical ID:
7677854
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)n2c3c(c(=O)n(cn3)CC(=O)N4CCOCC4)nn2
InChi [?]:
InChI=1/C17H18N6O3/c1-12-2-4-13(5-3-12)23-16-15(19-20-23)17(25)22(11-18-16)10-14(24)21-6-8-26-9-7-21/h2-5,11H,6-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,3,7,4,6,20,24,21,23,16,14,2,5,17,10,9,11,15,25,26,19,13,8,18,12,22/E:(2,3)(4,5)(6,7)(8,9)/rA:26nCCCCCCCNCCCONCNCCONCCOCCNN/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d11;s11;s13;s9d14;s13;s16;d17;s17;s19;s20;s21;s22;s19s23;s10;s8d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18N6O3 |
All Atoms: | 44 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.64909 |
Area: | 552.481 |
Solvation: | -5.16294 |
Coulombic: | -51.0545 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | -0.18 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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