Molecule

ID:14701

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₆N₂
Molecular Mass
246.39104
Exact Mass
246.20959884
Charge
0
InChI
InChI=1S/C16H26N2/c1-12-11-18(4)13(2)10-16(12)17-14(3)15-8-6-5-7-9-15/h5-9,12-14,16-17H,10-11H2,1-4H3
InChIKey
ZESBOMNHBGYPKU-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccccc1)NC1CC(C)N(CC1C)C
Isomeric Smiles
C1(NC(c2ccccc2)C)C(CN(C(C1)C)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.687525
LogD (pH = 7.4)
-0.48585677
Log P
2.8708744
Molar Refractivity
78.0111
Polarizability
31.140902
Polar Surface Area
15.27
Rotatable Bonds
3
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