Molecule

ID:19863

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₂N₂O
Molecular Mass
200.23648
Exact Mass
200.09496301
Charge
0
InChI
InChI=1S/C12H12N2O/c1-9-4-5-12(11(13)7-9)15-10-3-2-6-14-8-10/h2-8H,13H2,1H3
InChIKey
MTLURUSPEHHIKT-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)N)Oc1cccnc1
Isomeric Smiles
c1(c(cc(cc1)C)N)Oc1cnccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.8919479
LogD (pH = 7.4)
1.9397061
Log P
1.940356
Molar Refractivity
59.8835
Polarizability
22.667524
Polar Surface Area
48.14
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