Molecule

ID:18674

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O
Molecular Mass
186.2099
Exact Mass
186.07931295
Charge
0
InChI
InChI=1S/C11H10N2O/c14-9-11-6-12-13(8-11)7-10-4-2-1-3-5-10/h1-6,8-9H,7H2
InChIKey
WOXHPHOZJMLUFE-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cnn(c1)Cc1ccccc1
Isomeric Smiles
n1(ncc(c1)C=O)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8380626
LogD (pH = 7.4)
1.8380811
Log P
1.8380814
Molar Refractivity
66.158
Polarizability
20.38845
Polar Surface Area
34.89
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