Molecule

ID:53815

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁N₃O₄
Molecular Mass
295.33424
Exact Mass
295.15320617
Charge
0
InChI
InChI=1S/C14H21N3O4/c1-14(2,3)21-13(18)17-16-12(15)9-20-11-7-5-10(19-4)6-8-11/h5-8H,9H2,1-4H3,(H2,15,16)(H,17,18)
InChIKey
BBHMGDULNTXIJP-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)OC/C(=N/NC(=O)OC(C)(C)C)/N
Isomeric Smiles
N(=C(\COc1ccc(cc1)OC)/N)/NC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
8.913645
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
1.4823816
LogD (pH = 7.4)
1.4709781
Log P
1.4825736
Molar Refractivity
77.3655
Polarizability
30.221512
Polar Surface Area
95.17
Rotatable Bonds
7
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