Molecule

ID:22734

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₂O
Molecular Mass
190.24166
Exact Mass
190.11061308
Charge
0
InChI
InChI=1S/C11H14N2O/c1-7-2-5-9(12)6-10(7)13-11(14)8-3-4-8/h2,5-6,8H,3-4,12H2,1H3,(H,13,14)
InChIKey
JRPPTBHTNKEMOQ-UHFFFAOYSA-N
Canonic Smiles
O=C(C1CC1)Nc1cc(N)ccc1C
Isomeric Smiles
C(=O)(Nc1cc(N)ccc1C)C1CC1
Calculated Properties
JChem
Acid pKa
14.074518
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.641124
LogD (pH = 7.4)
1.6748009
Log P
1.6752478
Molar Refractivity
58.0618
Polarizability
21.064379
Polar Surface Area
55.12
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