Molecule

ID:54854

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₃N₃O₃
Molecular Mass
317.38282
Exact Mass
317.17394161
Charge
0
InChI
InChI=1S/C17H23N3O3/c21-16-18-9-4-10-20(16)15-7-11-19(12-8-15)17(22)23-13-14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13H2,(H,18,21)
InChIKey
VFFLTVRGXRGMBA-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCC(CC1)N1CCCNC1=O)OCc1ccccc1
Isomeric Smiles
C1(=O)N(C2CCN(C(=O)OCc3ccccc3)CC2)CCCN1
Calculated Properties
JChem
Acid pKa
13.927137
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.7930937
LogD (pH = 7.4)
0.79309374
Log P
0.79309386
Molar Refractivity
86.6876
Polarizability
33.38938
Polar Surface Area
61.88
Rotatable Bonds
4
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