Molecule

ID:48313

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉BrN₂O
Molecular Mass
299.20676
Exact Mass
298.06807524
Charge
0
InChI
InChI=1S/C13H19BrN2O/c1-10-7-13(15-8-12(10)14)16(2)9-11-3-5-17-6-4-11/h7-8,11H,3-6,9H2,1-2H3
InChIKey
SMGJHVCUCHFWQQ-UHFFFAOYSA-N
Canonic Smiles
CN(c1ncc(c(c1)C)Br)CC1CCOCC1
Isomeric Smiles
c1(ncc(c(c1)C)Br)N(CC1CCOCC1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.8139365
LogD (pH = 7.4)
3.1550884
Log P
3.1620357
Molar Refractivity
74.6007
Polarizability
27.961424
Polar Surface Area
25.36
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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