Molecule

ID:64804

General Information
Structure
Molecular Formula
C₁₀H₁₀BrNO₂
Molecular Mass
256.0959
Exact Mass
254.98949057
Charge
0
InChI
InChI=1S/C10H10BrNO2/c1-13-8-4-2-7(3-5-8)9-6-10(11)12-14-9/h2-5,9H,6H2,1H3
InChIKey
GPKZAXMPADQPAB-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)C1ON=C(C1)Br
Isomeric Smiles
C1(=NOC(C1)c1ccc(cc1)OC)Br
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.4123814
LogD (pH = 7.4)
2.4123878
Log P
2.4123878
Molar Refractivity
56.2914
Polarizability
21.848803
Polar Surface Area
30.82
Rotatable Bonds
2
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