Molecule

ID:71302

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅BN₂O₂
Molecular Mass
230.0707
Exact Mass
230.12265813
Charge
0
InChI
InChI=1S/C12H15BN2O2/c1-11(2)12(3,4)17-13(16-11)9-6-5-7-15-10(9)8-14/h5-7H,1-4H3
InChIKey
CZYZGSPKMBKQBK-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ncccc1B1OC(C(O1)(C)C)(C)C
Isomeric Smiles
B1(OC(C(O1)(C)C)(C)C)c1c(C#N)nccc1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.8025987
LogD (pH = 7.4)
2.8026
Log P
2.8026
Molar Refractivity
58.9058
Polarizability
24.940905
Polar Surface Area
55.14
Rotatable Bonds
1
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