Molecule

ID:45486

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₂O
Molecular Mass
190.24166
Exact Mass
190.11061308
Charge
0
InChI
InChI=1S/C11H14N2O/c12-9-4-6-10(7-5-9)13-11(14)8-2-1-3-8/h4-8H,1-3,12H2,(H,13,14)
InChIKey
QEPMBVBWNPHZQY-UHFFFAOYSA-N
Canonic Smiles
O=C(C1CCC1)Nc1ccc(cc1)N
Isomeric Smiles
C(=O)(Nc1ccc(N)cc1)C1CCC1
Calculated Properties
JChem
Acid pKa
15.684767
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.5916111
LogD (pH = 7.4)
1.6062058
Log P
1.6063951
Molar Refractivity
57.6216
Polarizability
21.140903
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