Molecule
ID:8888
General Information
Molecular Formula
C₁₄H₁₆BrNO₂
Molecular Mass
310.18634
Exact Mass
309.03644076
Charge
0
InChI
InChI=1S/C14H16BrNO2/c15-9-5-1-2-6-10-16-13(17)11-7-3-4-8-12(11)14(16)18/h3-4,7-8H,1-2,5-6,9-10H2
InChIKey
OAZFTIPKNPTDIO-UHFFFAOYSA-N
Canonic Smiles
BrCCCCCCN1C(=O)c2c(C1=O)cccc2
Isomeric Smiles
c1ccc2c(c1)C(=O)N(C2=O)CCCCCCBr
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.2335439
LogD (pH = 7.4)
3.2335439
Log P
3.2335439
Molar Refractivity
75.2503
Polarizability
27.904493
Polar Surface Area
37.38
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
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
Loading...
Bioactivity
Loading...