Molecule

ID:80304

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄Br₃NO
Molecular Mass
403.93626
Exact Mass
400.86255007
Charge
0
InChI
InChI=1S/C10H14Br3NO/c1-8(2)9(6(12)13)3-4-10(8,5(9)11)7(14)15/h5-6H,3-4H2,1-2H3,(H2,14,15)
InChIKey
WRGBBEYNVBRDQZ-UHFFFAOYSA-N
Canonic Smiles
BrC(C12CCC(C1Br)(C2(C)C)C(=O)N)Br
Isomeric Smiles
O=C(C12C(C)(C)C(C1Br)(C(Br)Br)CC2)N
Calculated Properties
JChem
Acid pKa
13.523018
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.3764603
LogD (pH = 7.4)
2.3764606
Log P
2.3764608
Molar Refractivity
70.1213
Polarizability
27.696997
Polar Surface Area
43.09
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation