Molecule

ID:21352

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆N₂O₃
Molecular Mass
272.29914
Exact Mass
272.11609238
Charge
0
InChI
InChI=1S/C15H16N2O3/c1-19-15(18)12-8-11(9-17-12)20-13-6-2-4-10-5-3-7-16-14(10)13/h2-7,11-12,17H,8-9H2,1H3/t11?,12-/m0/s1
InChIKey
OYOIOHFNEILUBI-KIYNQFGBSA-N
Canonic Smiles
COC(=O)[C@H]1NCC(C1)Oc1cccc2c1nccc2
Isomeric Smiles
N1[C@H](C(=O)OC)CC(Oc2c3ncccc3ccc2)C1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.36580798
LogD (pH = 7.4)
1.342931
Log P
1.3928614
Molar Refractivity
72.3325
Polarizability
30.233461
Polar Surface Area
60.45
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