Molecule

ID:69671

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₅ClN₂O
Molecular Mass
250.724
Exact Mass
250.08729079
Charge
0
InChI
InChI=1S/C13H14N2O.ClH/c14-15-12-6-8-13(9-7-12)16-10-11-4-2-1-3-5-11;/h1-9,15H,10,14H2;1H
InChIKey
OVNUPJXMCMTQCN-UHFFFAOYSA-N
Canonic Smiles
NNc1ccc(cc1)OCc1ccccc1.Cl
Isomeric Smiles
N(N)c1ccc(cc1)OCc1ccccc1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.710302
LogD (pH = 7.4)
2.9280684
Log P
2.9316902
Molar Refractivity
66.8405
Polarizability
25.017494
Polar Surface Area
47.28
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