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Chemical ID: 3968933
Chemical ID:
3968933
Name [?]:
None
SMILES [?]:
CC(CN1c2ccccc2CCc3c1cccc3)CN(C)C
InChi [?]:
InChI=1/C20H26N2/c1-16(14-21(2)3)15-22-19-10-6-4-8-17(19)12-13-18-9-5-7-11-20(18)22/h4-11,16H,12-15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,21,22,8,17,7,16,9,18,6,15,11,12,19,3,2,10,13,5,14,20,4/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(17,18)(19,20)/rA:22cCCCNCCCCCCCCCCCCCCCNCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s11;s12;s4s13;d14;s15;d16;d13s17;s2;s19;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H26N2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.5488 |
Area: | 490.483 |
Solvation: | -1.71325 |
Coulombic: | -13.3913 |
Bond Count [?]
All: | 24 |
Single: | 18 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 294.434 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.33 |
LogP (Chemaxon): | 4.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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