Molecule

ID:33865

General Information
Structure
Molecular Formula
C₁₁H₁₆N₂O₃
Molecular Mass
224.25634
Exact Mass
224.11609238
Charge
0
InChI
InChI=1S/C11H16N2O3/c1-7-9(8(2)16-12-7)6-13-5-3-4-10(13)11(14)15/h10H,3-6H2,1-2H3,(H,14,15)
InChIKey
WNRJQVYDTWFURB-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CCCN1Cc1c(C)noc1C
Isomeric Smiles
c1(CN2C(C(=O)O)CCC2)c(onc1C)C
Calculated Properties
JChem
Acid pKa
3.097885
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.9597063
LogD (pH = 7.4)
-2.1127183
Log P
-1.9611244
Molar Refractivity
59.1548
Polarizability
22.256207
Polar Surface Area
66.57
Rotatable Bonds
3
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