Molecule

ID:66421

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈N₂O₂
Molecular Mass
200.19342
Exact Mass
200.05857751
Charge
0
InChI
InChI=1S/C11H8N2O2/c14-11(15)9-4-2-8(3-5-9)10-12-6-1-7-13-10/h1-7H,(H,14,15)
InChIKey
WNDAEOTYLPWXPN-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc(cc1)c1ncccn1
Isomeric Smiles
C(=O)(c1ccc(cc1)c1ncccn1)O
Calculated Properties
JChem
Acid pKa
3.8023481
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.26622874
LogD (pH = 7.4)
-1.3247991
Log P
1.9701653
Molar Refractivity
65.3896
Polarizability
21.137926
Polar Surface Area
63.08
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