Molecule

ID:21575

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈N₂O₃
Molecular Mass
262.30432
Exact Mass
262.13174245
Charge
0
InChI
InChI=1S/C14H18N2O3/c17-13(10-12-14(18)16-8-7-15-12)19-9-6-11-4-2-1-3-5-11/h1-5,12,15H,6-10H2,(H,16,18)
InChIKey
NLBYZPUORCPDFM-UHFFFAOYSA-N
Canonic Smiles
O=C(CC1NCCNC1=O)OCCc1ccccc1
Isomeric Smiles
C1(=O)C(CC(=O)OCCc2ccccc2)NCCN1
Calculated Properties
JChem
Acid pKa
14.006152
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.083674766
LogD (pH = 7.4)
0.59484416
Log P
0.616294
Molar Refractivity
70.1939
Polarizability
27.839874
Polar Surface Area
67.43
Rotatable Bonds
6
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