Molecule

ID:51046

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉N₃O₄
Molecular Mass
293.31836
Exact Mass
293.1375561
Charge
0
InChI
InChI=1S/C14H19N3O4/c1-2-21-14(18)10-5-7-16(8-6-10)13-4-3-11(17(19)20)9-12(13)15/h3-4,9-10H,2,5-8,15H2,1H3
InChIKey
JNXOKTJJTCLQNN-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CCN(CC1)c1ccc(cc1N)[N+](=O)[O-]
Isomeric Smiles
[N+](=O)(c1cc(c(N2CCC(C(=O)OCC)CC2)cc1)N)[O-]
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
1.7680489
LogD (pH = 7.4)
1.7681592
Log P
1.7681606
Molar Refractivity
80.4113
Polarizability
29.3006
Polar Surface Area
101.38
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