Molecule

ID:25989

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃BrO₂
Molecular Mass
305.16652
Exact Mass
304.00989166
Charge
0
InChI
InChI=1S/C15H13BrO2/c1-11-2-4-12(5-3-11)10-18-15-7-6-14(16)8-13(15)9-17/h2-9H,10H2,1H3
InChIKey
ZWRFEPQHOCGTPI-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(Br)ccc1OCc1ccc(cc1)C
Isomeric Smiles
c1(c(OCc2ccc(cc2)C)ccc(c1)Br)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.534724
LogD (pH = 7.4)
4.534724
Log P
4.534724
Molar Refractivity
76.3818
Polarizability
28.813347
Polar Surface Area
26.3
Rotatable Bonds
4
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