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Chemical ID: 5273055
Chemical ID:
5273055
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)nc3n2CN(CN3)C4CCCCC4
InChi [?]:
InChI=1/C15H20N4/c1-2-6-12(7-3-1)18-10-16-15-17-13-8-4-5-9-14(13)19(15)11-18/h4-5,8-9,12H,1-3,6-7,10-11H2,(H,16,17)
InChi Info:
AuxInfo=1/1/N:17,16,18,1,2,15,19,6,3,12,10,14,5,4,8,13,7,11,9/E:(2,3)(6,7)/rA:19cCCCCCCNCNCNCNCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s9;s10;s11;s8s12;s11;s14;s15;s16;s17;s14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H20N4 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.53362 |
Area: | 427.624 |
Solvation: | -2.15699 |
Coulombic: | -29.8116 |
Bond Count [?]
All: | 22 |
Single: | 18 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 256.346 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.5 |
LogP (Chemaxon): | 4.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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