Molecule

ID:19562

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉ClN₂O
Molecular Mass
242.74506
Exact Mass
242.11859092
Charge
0
InChI
InChI=1S/C12H19ClN2O/c1-3-15(4-2)8-9-16-12-10(13)6-5-7-11(12)14/h5-7H,3-4,8-9,14H2,1-2H3
InChIKey
SPCFJXBDMYAHLL-UHFFFAOYSA-N
Canonic Smiles
CCN(CCOc1c(N)cccc1Cl)CC
Isomeric Smiles
c1(c(N)cccc1Cl)OCCN(CC)CC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.0038998
LogD (pH = 7.4)
0.43808717
Log P
2.3229537
Molar Refractivity
69.5427
Polarizability
26.604263
Polar Surface Area
38.49
Rotatable Bonds
6
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