Molecule

ID:48640

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅BrN₂
Molecular Mass
303.197
Exact Mass
302.04186049
Charge
0
InChI
InChI=1S/C15H15BrN2/c1-11-9-13(16)10-17-15(11)18-8-4-6-12-5-2-3-7-14(12)18/h2-3,5,7,9-10H,4,6,8H2,1H3
InChIKey
XHWIHOSUONLAAE-UHFFFAOYSA-N
Canonic Smiles
Brc1cnc(c(c1)C)N1CCCc2c1cccc2
Isomeric Smiles
N1(c2ncc(cc2C)Br)c2c(CCC1)cccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.770255
LogD (pH = 7.4)
4.7801366
Log P
4.780264
Molar Refractivity
78.1721
Polarizability
29.34159
Polar Surface Area
16.13
Rotatable Bonds
1
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