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Chemical ID: 4259629
Chemical ID:
4259629
Name [?]:
None
SMILES [?]:
C[NH+](C)CCC=C1c2ccccc2CCc3c1cccc3
InChi [?]:
InChI=1/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3/p+1
InChi Info:
AuxInfo=1/1/N:1,3,11,20,10,19,5,12,21,9,18,6,14,15,4,13,16,8,17,7,2/E:(1,2)(3,4)(5,6)(8,9)(10,11)(13,14)(16,17)(18,19)/rA:21nCN+CCCCCCCCCCCCCCCCCCC/rB:s1;s2;s2;s4;s5;w6;s7;s8;d9;s10;d11;d8s12;s13;s14;s15;s7s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H24N+ |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -20.019 |
Area: | 475.754 |
Solvation: | -31.9128 |
Coulombic: | 25.3488 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 278.411 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 4.93 |
LogP (Chemaxon): | 4.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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