Molecule

ID:101060

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀BNO₃
Molecular Mass
203.0023
Exact Mass
203.07537359
Charge
0
InChI
InChI=1S/C10H10BNO3/c1-7-9(11(13)14)10(12-15-7)8-5-3-2-4-6-8/h2-6,13-14H,1H3
InChIKey
KKECSPALZHMRSF-UHFFFAOYSA-N
Canonic Smiles
OB(c1c(C)onc1c1ccccc1)O
Isomeric Smiles
c1(c(noc1C)c1ccccc1)B(O)O
Calculated Properties
JChem
Acid pKa
7.6421576
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.239495
LogD (pH = 7.4)
2.046457
Log P
2.2426
Molar Refractivity
51.9594
Polarizability
22.238192
Polar Surface Area
66.49
Rotatable Bonds
2
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