Molecule

ID:14331

General Information
Structure
Molecular Formula
C₁₆H₂₃ClN₂O₂
Molecular Mass
310.81902
Exact Mass
310.14480567
Charge
0
InChI
InChI=1S/C16H22N2O2.ClH/c1-18-10-4-5-14(18)12-17-9-8-13-6-7-15(19-2)16(11-13)20-3;/h4-7,10-11,17H,8-9,12H2,1-3H3;1H
InChIKey
JEOVANKCXOBJBC-UHFFFAOYSA-N
Canonic Smiles
COc1cc(CCNCc2cccn2C)ccc1OC.Cl
Isomeric Smiles
c1(c(ccc(c1)CCNCc1n(ccc1)C)OC)OC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.68889695
LogD (pH = 7.4)
0.5407377
Log P
2.4529479
Molar Refractivity
81.133
Polarizability
31.40109
Polar Surface Area
35.42
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