Molecule

ID:56230

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅NO₃
Molecular Mass
245.2738
Exact Mass
245.10519335
Charge
0
InChI
InChI=1S/C14H15NO3/c1-14(2,3)11(16)8-15-12(17)9-6-4-5-7-10(9)13(15)18/h4-7H,8H2,1-3H3
InChIKey
HAFOAXRAJBJRMB-UHFFFAOYSA-N
Canonic Smiles
O=C(C(C)(C)C)CN1C(=O)c2c(C1=O)cccc2
Isomeric Smiles
N1(C(=O)c2c(C1=O)cccc2)CC(=O)C(C)(C)C
Calculated Properties
JChem
Acid pKa
19.909407
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.5242443
LogD (pH = 7.4)
2.5242443
Log P
2.5242443
Molar Refractivity
67.5496
Polarizability
25.269653
Polar Surface Area
54.45
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