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Chemical ID: 6493433
Chemical ID:
6493433
Name [?]:
None
SMILES [?]:
C1CCC2(CC1)C3=C(CCCC3)n4c(nc(n4)N)N2
InChi [?]:
InChI=1/C14H21N5/c15-12-16-13-17-14(8-4-1-5-9-14)10-6-2-3-7-11(10)19(13)18-12/h1-9H2,(H3,15,16,17,18)
InChi Info:
AuxInfo=1/1/N:1,11,10,2,6,12,9,3,5,7,8,16,14,4,18,15,19,17,13/E:(4,5)(8,9)/rA:19nCCCCCCCCCCCCNCNCNNN/rB:s1;s2;s3;s4;s1s5;s4;d7;s8;s9;s10;s7s11;s8;s13;d14;s15;s13d16;s16;s4s14;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H21N5 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.19602 |
Area: | 417.44 |
Solvation: | -1.23997 |
Coulombic: | -42.5199 |
Bond Count [?]
All: | 22 |
Single: | 19 |
Double: | 3 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 259.35 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 2 |
XLogP: | 1.82 |
LogP (Chemaxon): | 1.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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