Molecule

ID:40694

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈N₂O₃
Molecular Mass
262.30432
Exact Mass
262.13174245
Charge
0
InChI
InChI=1S/C14H18N2O3/c1-2-19-14(18)11-5-8-16(9-6-11)13-12(10-17)4-3-7-15-13/h3-4,7,10-11H,2,5-6,8-9H2,1H3
InChIKey
NTDVMWNLFAJSAS-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CCN(CC1)c1ncccc1C=O
Isomeric Smiles
c1(N2CCC(C(=O)OCC)CC2)c(C=O)cccn1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.5173115
LogD (pH = 7.4)
1.7425201
Log P
1.7463897
Molar Refractivity
73.1268
Polarizability
27.25738
Polar Surface Area
59.5
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