Molecule

ID:69596

General Information
Structure
Molecular Formula
C₁₀H₂₁ClN₂O₂
Molecular Mass
236.73894
Exact Mass
236.1291556
Charge
0
InChI
InChI=1S/C10H20N2O2.ClH/c1-10(2,3)14-9(13)12-6-4-8(11)5-7-12;/h8H,4-7,11H2,1-3H3;1H
InChIKey
KLOQZAJAQQKCNC-UHFFFAOYSA-N
Canonic Smiles
NC1CCN(CC1)C(=O)OC(C)(C)C.Cl
Isomeric Smiles
N1(CCC(CC1)N)C(=O)OC(C)(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.7163312
LogD (pH = 7.4)
-2.1473374
Log P
0.3014924
Molar Refractivity
55.0703
Polarizability
21.854008
Polar Surface Area
55.56
Rotatable Bonds
2
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
References
Bioactivity
Navigation