Molecule

ID:55052

General Information
Structure
Molecular Formula
C₁₂H₁₉ClN₂
Molecular Mass
226.74566
Exact Mass
226.1236763
Charge
0
InChI
InChI=1S/C12H18N2.ClH/c1-10-2-4-12(5-3-10)14-7-6-11(8-13)9-14;/h2-5,11H,6-9,13H2,1H3;1H
InChIKey
ILCHDSJEZRRETO-UHFFFAOYSA-N
Canonic Smiles
NCC1CCN(C1)c1ccc(cc1)C.Cl
Isomeric Smiles
N1(c2ccc(cc2)C)CC(CC1)CN.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.2434198
LogD (pH = 7.4)
-0.473123
Log P
1.8634777
Molar Refractivity
61.0278
Polarizability
23.270506
Polar Surface Area
29.26
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