Molecule

ID:78752

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₀N₂
Molecular Mass
240.3434
Exact Mass
240.16264865
Charge
0
InChI
InChI=1S/C16H20N2/c1-13(2)14-6-8-16(9-7-14)18-12-10-15-5-3-4-11-17-15/h3-9,11,13,18H,10,12H2,1-2H3
InChIKey
CZAXCZZETBKEAP-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccc(cc1)NCCc1ccccn1)C
Isomeric Smiles
n1c(cccc1)CCNc1ccc(cc1)C(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.155039
LogD (pH = 7.4)
3.5096204
Log P
3.5163183
Molar Refractivity
77.0755
Polarizability
29.265305
Polar Surface Area
24.92
Rotatable Bonds
5
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