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Chemical ID: 7108145
Chemical ID:
7108145
Name [?]:
N-[(2,6-dichlorophenyl)methyl]cyclohexanamine
SMILES [?]:
c1cc(c(c(c1)Cl)CNC2CCCCC2)Cl
InChi [?]:
InChI=1/C13H17Cl2N/c14-12-7-4-8-13(15)11(12)9-16-10-5-2-1-3-6-10/h4,7-8,10,16H,1-3,5-6,9H2
InChi Info:
AuxInfo=1/0/N:13,12,14,1,11,15,2,6,8,10,4,3,5,16,7,9/E:(2,3)(5,6)(7,8)(12,13)(14,15)/rA:16nCCCCCCClCNCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s4;s8;s9;s10;s11;s12;s13;s10s14;s3;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H17Cl2N |
All Atoms: | 33 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.86434 |
Area: | 429.211 |
Solvation: | -0.865937 |
Coulombic: | -11.9775 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 258.186 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 4.61 |
LogP (Chemaxon): | 4.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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