Molecule

ID:30450

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄Cl₂N₂O₃
Molecular Mass
351.26866
Exact Mass
350.116398
Charge
0
InChI
InChI=1S/C15H22N2O3.2ClH/c1(5-17-6-8-18-9-7-17)4-16-11-13-2-3-14-15(10-13)20-12-19-14;;/h2-3,10,16H,1,4-9,11-12H2;2*1H
InChIKey
MZJZVXVLMPSVLP-UHFFFAOYSA-N
Canonic Smiles
C(NCc1ccc2c(c1)OCO2)CCN1CCOCC1.Cl.Cl
Isomeric Smiles
c12c(OCO1)ccc(c2)CNCCCN1CCOCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-2.8711214
LogD (pH = 7.4)
-1.1739149
Log P
1.0149319
Molar Refractivity
77.0319
Polarizability
30.537037
Polar Surface Area
42.96
Rotatable Bonds
6
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