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Chemical ID: 7108650
Chemical ID:
7108650
Name [?]:
N-[(2,6-dichlorophenyl)methyl]cyclooctanamine
SMILES [?]:
c1cc(c(c(c1)Cl)CNC2CCCCCCC2)Cl
InChi [?]:
InChI=1/C15H21Cl2N/c16-14-9-6-10-15(17)13(14)11-18-12-7-4-2-1-3-5-8-12/h6,9-10,12,18H,1-5,7-8,11H2
InChi Info:
AuxInfo=1/0/N:14,13,15,12,16,1,11,17,2,6,8,10,4,3,5,18,7,9/E:(2,3)(4,5)(7,8)(9,10)(14,15)(16,17)/rA:18nCCCCCCClCNCCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s4;s8;s9;s10;s11;s12;s13;s14;s15;s10s16;s3;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H21Cl2N |
All Atoms: | 39 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5935 |
Area: | 458.734 |
Solvation: | -0.8748 |
Coulombic: | -12.5642 |
Bond Count [?]
All: | 19 |
Single: | 16 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 286.239 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 5.74 |
LogP (Chemaxon): | 4.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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