Molecule

ID:22762

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀N₂O₂
Molecular Mass
284.3529
Exact Mass
284.15247789
Charge
0
InChI
InChI=1S/C17H20N2O2/c1-3-16(21-14-7-5-4-6-8-14)17(20)19-15-11-13(18)10-9-12(15)2/h4-11,16H,3,18H2,1-2H3,(H,19,20)
InChIKey
JLFYYHRCGRZMJK-UHFFFAOYSA-N
Canonic Smiles
CCC(C(=O)Nc1cc(N)ccc1C)Oc1ccccc1
Isomeric Smiles
C(=O)(Nc1cc(N)ccc1C)C(Oc1ccccc1)CC
Calculated Properties
JChem
Acid pKa
12.658443
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.476538
LogD (pH = 7.4)
3.5032873
Log P
3.5036418
Molar Refractivity
85.6426
Polarizability
32.068283
Polar Surface Area
64.35
Rotatable Bonds
5
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