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Chemical ID: 5169640
Chemical ID:
5169640
Name [?]:
None
SMILES [?]:
CN(C)c1c2c(ncn1)Oc3c(c(ncn3)N(C)C)C2c4ccccc4
InChi [?]:
InChI=1/C19H20N6O/c1-24(2)16-14-13(12-8-6-5-7-9-12)15-17(25(3)4)21-11-23-19(15)26-18(14)22-10-20-16/h5-11,13H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,18,19,24,23,25,22,26,8,15,21,20,5,12,4,13,6,11,9,14,7,16,2,17,10/E:(1,2,3,4)(6,7)(8,9)(10,11)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)/rA:26cCNCCCCNCNOCCCNCNNCCCCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s6;s10;s11;d12;s13;d14;d11s15;s13;s17;s17;s5s12;s20;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H20N6O |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.1065 |
Area: | 480.593 |
Solvation: | -2.90833 |
Coulombic: | -43.1444 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 348.402 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.65 |
LogP (Chemaxon): | 4.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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