Molecule

ID:19655

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉ClN₂O
Molecular Mass
254.75576
Exact Mass
254.11859092
Charge
0
InChI
InChI=1S/C13H19ClN2O/c14-11-4-5-13(12(15)10-11)17-9-8-16-6-2-1-3-7-16/h4-5,10H,1-3,6-9,15H2
InChIKey
LPHVVCCNKGEBNM-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)N)OCCN1CCCCC1
Isomeric Smiles
c1(cc(ccc1OCCN1CCCCC1)Cl)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.55566144
LogD (pH = 7.4)
1.155667
Log P
2.459704
Molar Refractivity
72.1875
Polarizability
27.69165
Polar Surface Area
38.49
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