Molecule

ID:11301

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₄N₂O₆
Molecular Mass
352.38226
Exact Mass
352.1634365
Charge
0
InChI
InChI=1S/C15H22N2O2.C2H2O4/c1-11-12(2)17(10-13(19)9-16-7-8-18)15-6-4-3-5-14(11)15;3-1(4)2(5)6/h3-6,13,16,18-19H,7-10H2,1-2H3;(H,3,4)(H,5,6)
InChIKey
JYDUSFNKOYADJV-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(=O)O.OCCNCC(Cn1c2ccccc2c(c1C)C)O
Isomeric Smiles
n1(c(c(c2c1cccc2)C)C)CC(CNCCO)O.O=C(O)C(=O)O
Calculated Properties
JChem
Acid pKa
14.409365
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-1.8053008
LogD (pH = 7.4)
-0.5331221
Log P
1.3238262
Molar Refractivity
77.2113
Polarizability
30.966179
Polar Surface Area
57.42
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