Molecule

ID:33885

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉ClN₂O
Molecular Mass
254.75576
Exact Mass
254.11859092
Charge
0
InChI
InChI=1S/C13H18N2O.ClH/c1-10-2-4-11(5-3-10)13(16)15-8-6-12(14)7-9-15;/h2-5,12H,6-9,14H2,1H3;1H
InChIKey
VLOGVAKRGAOZFX-UHFFFAOYSA-N
Canonic Smiles
NC1CCN(CC1)C(=O)c1ccc(cc1)C.Cl
Isomeric Smiles
C(=O)(N1CCC(CC1)N)c1ccc(cc1)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.02199
LogD (pH = 7.4)
-1.4530473
Log P
0.99583745
Molar Refractivity
65.3528
Polarizability
24.930298
Polar Surface Area
46.33
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