Molecule

ID:33591

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀N₂O₃
Molecular Mass
230.2194
Exact Mass
230.06914219
Charge
0
InChI
InChI=1S/C12H10N2O3/c15-12(16)9-5-1-7(2-6-9)10-13-11(17-14-10)8-3-4-8/h1-2,5-6,8H,3-4H2,(H,15,16)
InChIKey
VNTDAESCEVFXGZ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc(cc1)c1noc(n1)C1CC1
Isomeric Smiles
n1c(noc1C1CC1)c1ccc(C(=O)O)cc1
Calculated Properties
JChem
Acid pKa
3.723787
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.86745447
LogD (pH = 7.4)
-0.6862807
Log P
2.6442792
Molar Refractivity
71.1813
Polarizability
22.795599
Polar Surface Area
76.22
Rotatable Bonds
3
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