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Chemical ID: 4928959
Chemical ID:
4928959
Name [?]:
None
SMILES [?]:
c1ccc(cc1)CCN2CCc3c(c4ccccc4[nH]3)C2
InChi [?]:
InChI=1/C19H20N2/c1-2-6-15(7-3-1)10-12-21-13-11-19-17(14-21)16-8-4-5-9-18(16)20-19/h1-9,20H,10-14H2
InChi Info:
AuxInfo=1/0/N:1,2,6,16,17,3,5,15,18,7,11,8,10,21,4,14,13,19,12,20,9/E:(2,3)(6,7)/rA:21cCCCCCCCCNCCCCCCCCCCNC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;d12;s13;s14;d15;s16;d17;d14s18;s12s19;s9s13;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H20N2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.2101 |
Area: | 481.665 |
Solvation: | -1.83154 |
Coulombic: | -18.3826 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 276.376 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.57 |
LogP (Chemaxon): | 3.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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