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Chemical ID: 4558533
Chemical ID:
4558533
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c3c([nH]2)C4(CCCCC4)NCC3
InChi [?]:
InChI=1/C16H20N2/c1-4-9-16(10-5-1)15-13(8-11-17-16)12-6-2-3-7-14(12)18-15/h2-3,6-7,17-18H,1,4-5,8-11H2
InChi Info:
AuxInfo=1/0/N:13,1,2,12,14,6,3,18,11,15,17,5,7,4,8,10,16,9/E:(4,5)(9,10)/rA:18nCCCCCCCCNCCCCCCNCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;s10;s11;s12;s13;s10s14;s10;s16;s7s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H20N2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.77819 |
Area: | 402.245 |
Solvation: | -1.27793 |
Coulombic: | -21.4698 |
Bond Count [?]
All: | 21 |
Single: | 17 |
Double: | 4 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 240.343 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.04 |
LogP (Chemaxon): | 3.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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