Molecule

ID:79956

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₉Br₂N
Molecular Mass
313.07256
Exact Mass
310.98842361
Charge
0
InChI
InChI=1S/C10H18BrN.BrH/c1-12-5-4-8-6-10(11)3-2-9(8)7-12;/h8-10H,2-7H2,1H3;1H/t8-,9?,10?;/m0./s1
InChIKey
QXFUBYULPMVKMK-AYUROHKDSA-N
Canonic Smiles
BrC1CCC2[C@H](C1)CC[NH+](C2)C.[Br-]
Isomeric Smiles
[NH+]1(CC2CCC(C[C@@H]2CC1)Br)C.[Br-]
Calculated Properties
JChem
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
-1.175157
LogD (pH = 7.4)
-0.16286835
Log P
2.2713075
Molar Refractivity
67.271
Polarizability
21.809032
Polar Surface Area
4.44
Rotatable Bonds
0
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