Chemical ID: 4727954

c1c(cc(c(c1Br)N)Br)C2CCCCC2
Chemical ID:
4727954
Name [?]:
2,6-dibromo-4-cyclohexyl-aniline
SMILES [?]:
c1c(cc(c(c1Br)N)Br)C2CCCCC2
InChi [?]:
InChI=1/C12H15Br2N/c13-10-6-9(7-11(14)12(10)15)8-4-2-1-3-5-8/h6-8H,1-5,15H2
InChi Info:
AuxInfo=1/0/N:13,12,14,11,15,1,3,10,2,6,4,5,7,9,8/E:(2,3)(4,5)(6,7)(10,11)(13,14)/rA:15nCCCCCCBrNBrCCCCCC/rB:s1;d2;s3;d4;d1s5;s6;s5;s4;s2;s10;s11;s12;s13;s10s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H15Br2N
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:9.59946
Area:405.295
Solvation:-0.532918
Coulombic:-19.165
Bond Count [?]
All:16
Single:13
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:333.062
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:5.57
LogP (Chemaxon):4.73

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Descriptor Annotations

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