Molecule

ID:12635

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₆Cl₂N₂
Molecular Mass
317.29704
Exact Mass
316.1473042
Charge
0
InChI
InChI=1S/C16H24N2.2ClH/c1-18-15-7-8-16(18)12-14(11-15)17-10-9-13-5-3-2-4-6-13;;/h2-6,14-17H,7-12H2,1H3;2*1H
InChIKey
FXQYJJJXXJGVEP-UHFFFAOYSA-N
Canonic Smiles
CN1C2CCC1CC(C2)NCCc1ccccc1.Cl.Cl
Isomeric Smiles
C12CCC(N1C)CC(C2)NCCc1ccccc1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.4041781
LogD (pH = 7.4)
-1.2873833
Log P
2.3723936
Molar Refractivity
76.3935
Polarizability
30.320082
Polar Surface Area
15.27
Rotatable Bonds
4
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