Chemical ID: 7108145

c1cc(c(c(c1)Cl)CNC2CCCCC2)Cl
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

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