Molecule

ID:43564

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂BrNO₂
Molecular Mass
306.15458
Exact Mass
305.00514063
Charge
0
InChI
InChI=1S/C14H12BrNO2/c1-10-2-4-11(5-3-10)7-16-8-12(9-17)6-13(15)14(16)18/h2-6,8-9H,7H2,1H3
InChIKey
INPBOLWUAJEPLC-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cn(Cc2ccc(cc2)C)c(=O)c(c1)Br
Isomeric Smiles
n1(c(=O)c(cc(c1)C=O)Br)Cc1ccc(cc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.5803638
LogD (pH = 7.4)
2.5803638
Log P
2.5803638
Molar Refractivity
75.2789
Polarizability
27.756575
Polar Surface Area
37.38
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