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Chemical ID: 4409964
Chemical ID:
4409964
Name [?]:
None
SMILES [?]:
Cc1nnc2n1c3ccccc3nc2N4CCCCCC4
InChi [?]:
InChI=1/C16H19N5/c1-12-18-19-16-15(20-10-6-2-3-7-11-20)17-13-8-4-5-9-14(13)21(12)16/h4-5,8-9H,2-3,6-7,10-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,18,19,10,9,17,20,11,8,16,21,2,12,7,14,5,13,3,4,15,6/E:(2,3)(6,7)(10,11)/rA:21nCCNNCNCCCCCCNCNCCCCCC/rB:s1;d2;s3;d4;s2s5;s6;s7;d8;s9;d10;d7s11;s12;s5d13;s14;s15;s16;s17;s18;s19;s15s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H19N5 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.35674 |
Area: | 444.896 |
Solvation: | -1.76567 |
Coulombic: | -25.4043 |
Bond Count [?]
All: | 24 |
Single: | 18 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 281.356 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.26 |
LogP (Chemaxon): | 2.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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