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Chemical ID: 4556817
Chemical ID:
4556817
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)C3CCN4CC5CCCCC5C4C3N2
InChi [?]:
InChI=1/C18H24N2/c1-2-6-13-12(5-1)11-20-10-9-15-14-7-3-4-8-16(14)19-17(15)18(13)20/h3-4,7-8,12-13,15,17-19H,1-2,5-6,9-11H2
InChi Info:
AuxInfo=1/0/N:14,15,1,2,13,16,6,3,8,9,11,12,17,5,7,4,19,18,20,10/rA:20cCCCCCCCCCNCCCCCCCCCN/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;s11;s12;s13;s14;s15;s12s16;s10s17;s7s18;s4s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H24N2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 6 |
ZAP Information [?]
Total: | 9.41459 |
Area: | 431.879 |
Solvation: | -1.38237 |
Coulombic: | -18.7124 |
Bond Count [?]
All: | 24 |
Single: | 21 |
Double: | 3 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 268.397 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.36 |
LogP (Chemaxon): | 3.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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