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Chemical ID: 7678825
Chemical ID:
7678825
Name [?]:
None
SMILES [?]:
CC1CCN(CC1)C(=O)Cn2cnc3c(c2=O)nnn3c4cccc(c4)OC
InChi [?]:
InChI=1/C19H22N6O3/c1-13-6-8-23(9-7-13)16(26)11-24-12-20-18-17(19(24)27)21-22-25(18)14-4-3-5-15(10-14)28-2/h3-5,10,12-13H,6-9,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,28,23,22,24,3,7,4,6,26,10,12,2,21,25,8,15,14,16,13,18,19,5,11,20,9,17,27/E:(6,7)(8,9)/rA:28nCCCCNCCCOCNCNCCCONNNCCCCCCOC/rB:s1;s2;s3;s4;s5;s2s6;s5;d8;s8;s10;s11;d12;s13;d14;s11s15;d16;s15;d18;s14s19;s20;s21;d22;s23;d24;d21s25;s25;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H22N6O3 |
All Atoms: | 50 |
Heavy Atoms: | 28 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.82983 |
Area: | 593.723 |
Solvation: | -5.01324 |
Coulombic: | -50.5275 |
Bond Count [?]
All: | 31 |
Single: | 23 |
Double: | 8 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.07 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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