Molecule

ID:48998

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₃ClN₂O
Molecular Mass
246.77682
Exact Mass
246.14989105
Charge
0
InChI
InChI=1S/C12H22N2O.ClH/c1-10-4-8-14(9-5-10)12(15)11-2-6-13-7-3-11;/h10-11,13H,2-9H2,1H3;1H
InChIKey
MOSFGVQANDSOFT-UHFFFAOYSA-N
Canonic Smiles
CC1CCN(CC1)C(=O)C1CCNCC1.Cl
Isomeric Smiles
C(=O)(N1CCC(CC1)C)C1CCNCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.5679445
LogD (pH = 7.4)
-1.9835086
Log P
0.65802693
Molar Refractivity
61.3815
Polarizability
24.10781
Polar Surface Area
32.34
Rotatable Bonds
1
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