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Chemical ID: 4685154
Chemical ID:
4685154
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)nnn2C3CCCC4N3CCn5c4ccc5
InChi [?]:
InChI=1/C17H19N5/c1-2-6-14-13(5-1)18-19-22(14)17-9-3-7-16-15-8-4-10-20(15)11-12-21(16)17/h1-2,4-6,8,10,16-17H,3,7,9,11-12H2
InChi Info:
AuxInfo=1/0/N:1,2,12,21,6,3,13,20,11,22,17,16,5,4,19,14,10,7,8,18,15,9/rA:22cCCCCCCNNNCCCCCNCCNCCCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s9;s10;s11;s12;s13;s10s14;s15;s16;s17;s14s18;d19;s20;s18d21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H19N5 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 8.78198 |
Area: | 448.388 |
Solvation: | -2.42772 |
Coulombic: | -15.9187 |
Bond Count [?]
All: | 26 |
Single: | 20 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 293.366 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 2.55 |
LogP (Chemaxon): | 3.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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