Molecule

ID:60319

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅BrN₂O₂
Molecular Mass
323.1851
Exact Mass
322.03168973
Charge
0
InChI
InChI=1S/C14H15BrN2O2/c1-9-13(15)10(2)17(16-9)8-11-5-4-6-12(7-11)14(18)19-3/h4-7H,8H2,1-3H3
InChIKey
GDHNOIBECCYEGN-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cccc(c1)Cn1nc(c(c1C)Br)C
Isomeric Smiles
n1(c(c(c(n1)C)Br)C)Cc1cccc(c1)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.2280262
LogD (pH = 7.4)
3.2287312
Log P
3.22874
Molar Refractivity
88.9633
Polarizability
29.257397
Polar Surface Area
44.12
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