Molecule

ID:46697

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₁ClN₂O
Molecular Mass
292.80374
Exact Mass
292.13424098
Charge
0
InChI
InChI=1S/C16H20N2O.ClH/c1-2-10-17-14(7-1)9-12-19-15-8-3-5-13-6-4-11-18-16(13)15;/h3-6,8,11,14,17H,1-2,7,9-10,12H2;1H
InChIKey
OSJUIZLHBYXDCN-UHFFFAOYSA-N
Canonic Smiles
C1CCC(NC1)CCOc1cccc2c1nccc2.Cl
Isomeric Smiles
c12ncccc2cccc1OCCC1NCCCC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.6475827
LogD (pH = 7.4)
-0.053725213
Log P
2.5789187
Molar Refractivity
75.8445
Polarizability
31.376253
Polar Surface Area
34.15
Rotatable Bonds
4
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