Molecule

ID:30466

General Information
Structure
MolImage
Molecular Formula
C₉H₁₅ClN₂O₃
Molecular Mass
234.68
Exact Mass
234.07712003
Charge
0
InChI
InChI=1S/C9H14N2O3.ClH/c12-6-5-10-3-4-11-9(13)8-2-1-7-14-8;/h1-2,7,10,12H,3-6H2,(H,11,13);1H
InChIKey
USCUBVFEVJKWBK-UHFFFAOYSA-N
Canonic Smiles
OCCNCCNC(=O)c1ccco1.Cl
Isomeric Smiles
c1(C(=O)NCCNCCO)occc1.Cl
Calculated Properties
JChem
Acid pKa
14.001689
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-4.0106626
LogD (pH = 7.4)
-2.5827687
Log P
-0.9466966
Molar Refractivity
51.4407
Polarizability
19.605328
Polar Surface Area
74.5
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