Molecule

ID:75605

General Information
Structure
MolImage
Molecular Formula
C₇H₉BrN₂
Molecular Mass
201.06376
Exact Mass
199.9949103
Charge
0
InChI
InChI=1S/C7H9BrN2/c1-5(2)7-6(8)3-9-4-10-7/h3-5H,1-2H3
InChIKey
LQPQMMZNSQOAHG-UHFFFAOYSA-N
Canonic Smiles
CC(c1ncncc1Br)C
Isomeric Smiles
n1cncc(c1C(C)C)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.1933396
LogD (pH = 7.4)
2.1933799
Log P
2.1933804
Molar Refractivity
44.138
Polarizability
16.834728
Polar Surface Area
25.78
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