Molecule

ID:48967

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₁ClN₂O
Molecular Mass
244.76094
Exact Mass
244.13424098
Charge
0
InChI
InChI=1S/C12H20N2O.ClH/c1-3-8-14(9-4-2)12(15)11-6-5-7-13-10-11;/h3-4,11,13H,1-2,5-10H2;1H
InChIKey
OSWWYPMXFMWMSI-UHFFFAOYSA-N
Canonic Smiles
C=CCN(C(=O)C1CCCNC1)CC=C.Cl
Isomeric Smiles
C(=O)(C1CNCCC1)N(CC=C)CC=C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.0469456
LogD (pH = 7.4)
-1.0285008
Log P
1.1390488
Molar Refractivity
62.8623
Polarizability
24.360344
Polar Surface Area
32.34
Rotatable Bonds
5
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