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Chemical ID: 5607218
Chemical ID:
5607218
Name [?]:
None
SMILES [?]:
CCN(CC)CCCCNc1ccnc2c1cc3ccccc3c2
InChi [?]:
InChI=1/C21H27N3/c1-3-24(4-2)14-8-7-12-22-20-11-13-23-21-16-18-10-6-5-9-17(18)15-19(20)21/h5-6,9-11,13,15-16H,3-4,7-8,12,14H2,1-2H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,20,21,8,7,19,22,12,9,13,6,17,24,18,23,16,11,15,10,14,3/E:(1,2)(3,4)/rA:24nCCNCCCCCCNCCCNCCCCCCCCCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s16;d17;s18;d19;s20;d21;s18s22;s15d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H27N3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.1844 |
Area: | 575.078 |
Solvation: | -2.19255 |
Coulombic: | -23.7202 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 321.459 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.45 |
LogP (Chemaxon): | 3.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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