Molecule

ID:88734

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉BrN₂
Molecular Mass
237.09586
Exact Mass
235.9949103
Charge
0
InChI
InChI=1S/C10H9BrN2/c1-6-8(11)3-2-7-9(12)4-5-13-10(6)7/h2-5H,1H3,(H2,12,13)
InChIKey
BEYAXBLNXNFZSL-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc2c(c1C)nccc2N
Isomeric Smiles
n1ccc(c2ccc(c(c12)C)Br)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.3199612
LogD (pH = 7.4)
2.241115
Log P
2.5841486
Molar Refractivity
57.3437
Polarizability
22.519602
Polar Surface Area
38.91
Rotatable Bonds
0
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