Molecule

ID:23994

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₃ClN₂O₂
Molecular Mass
262.77622
Exact Mass
262.14480567
Charge
0
InChI
InChI=1S/C12H22N2O2.ClH/c1-13-6-4-11(5-7-13)14-8-2-10(3-9-14)12(15)16;/h10-11H,2-9H2,1H3,(H,15,16);1H
InChIKey
NPWWSUPWUKTWKT-UHFFFAOYSA-N
Canonic Smiles
CN1CCC(CC1)N1CCC(CC1)C(=O)O.Cl
Isomeric Smiles
N1(C2CCN(CC2)C)CCC(CC1)C(=O)O.Cl
Calculated Properties
JChem
Acid pKa
4.0183372
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-4.089225
LogD (pH = 7.4)
-2.6285691
Log P
-2.4608936
Molar Refractivity
63.8211
Polarizability
24.941086
Polar Surface Area
43.78
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
暂无数据
点击上传数据
References
Bioactivity
Navigation