Molecule

ID:43623

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O
Molecular Mass
186.2099
Exact Mass
186.07931295
Charge
0
InChI
InChI=1S/C11H10N2O/c14-8-9-1-3-10(4-2-9)11-7-12-5-6-13-11/h1-7,14H,8H2
InChIKey
IKWXAZOUOQJQOH-UHFFFAOYSA-N
Canonic Smiles
OCc1ccc(cc1)c1nccnc1
Isomeric Smiles
n1c(c2ccc(cc2)CO)cncc1
Calculated Properties
JChem
Acid pKa
14.931919
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.80362123
LogD (pH = 7.4)
0.8036268
Log P
0.8036269
Molar Refractivity
53.3243
Polarizability
21.97253
Polar Surface Area
46.01
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