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Chemical ID: 4173742
Chemical ID:
4173742
Name [?]:
None
SMILES [?]:
c1ccc(cc1)CN2CCn3c4ccccc4c5c3C2CCC5
InChi [?]:
InChI=1/C21H22N2/c1-2-7-16(8-3-1)15-22-13-14-23-19-11-5-4-9-17(19)18-10-6-12-20(22)21(18)23/h1-5,7-9,11,20H,6,10,12-15H2
InChi Info:
AuxInfo=1/0/N:1,2,6,15,14,22,3,5,16,23,13,21,9,10,7,4,17,18,12,20,19,8,11/E:(2,3)(7,8)/rA:23cCCCCCCCNCCNCCCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s17;s11d18;s8s19;s20;s21;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H22N2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 10.1673 |
Area: | 483.52 |
Solvation: | -1.92069 |
Coulombic: | -13.7331 |
Bond Count [?]
All: | 27 |
Single: | 20 |
Double: | 7 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 302.413 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.32 |
LogP (Chemaxon): | 4.79 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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