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Chemical ID: 7678807
Chemical ID:
7678807
Name [?]:
None
SMILES [?]:
COc1cccc(c1)n2c3c(c(=O)n(cn3)CC(=O)N4CCCC4)nn2
InChi [?]:
InChI=1/C17H18N6O3/c1-26-13-6-4-5-12(9-13)23-16-15(19-20-23)17(25)22(11-18-16)10-14(24)21-7-2-3-8-21/h4-6,9,11H,2-3,7-8,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,22,23,5,6,4,21,24,8,17,15,7,3,18,11,10,12,16,25,26,20,14,9,19,13,2/E:(2,3)(7,8)/rA:26nCOCCCCCCNCCCONCNCCONCCCCNN/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s11;d12;s12;s14;s10d15;s14;s17;d18;s18;s20;s21;s22;s20s23;s11;s9d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18N6O3 |
All Atoms: | 44 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.8075 |
Area: | 556.09 |
Solvation: | -5.09475 |
Coulombic: | -49.9225 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 0.2 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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