Molecule

ID:34885

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇NO₃
Molecular Mass
201.17818
Exact Mass
201.04259309
Charge
0
InChI
InChI=1S/C11H7NO3/c13-9-5-7-6-3-1-2-4-8(6)12-10(7)11(14)15-9/h1-4,12H,5H2
InChIKey
DRBDVHIEYHBCGL-UHFFFAOYSA-N
Canonic Smiles
O=C1OC(=O)c2c(C1)c1ccccc1[nH]2
Isomeric Smiles
c12c(c3c([nH]1)cccc3)CC(=O)OC2=O
Calculated Properties
JChem
Acid pKa
9.711402
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.4214886
LogD (pH = 7.4)
1.4196485
Log P
1.4215121
Molar Refractivity
52.3804
Polarizability
21.14157
Polar Surface Area
59.16
Rotatable Bonds
0
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