Molecule

ID:79301

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈N₂
Molecular Mass
226.31682
Exact Mass
226.14699859
Charge
0
InChI
InChI=1S/C15H18N2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10H,16-17H2,1-2H3
InChIKey
ZYEDGEXYGKWJPB-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccc(cc1)N)(c1ccc(cc1)N)C
Isomeric Smiles
Nc1ccc(cc1)C(c1ccc(cc1)N)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.9216714
LogD (pH = 7.4)
2.9932828
Log P
2.994254
Molar Refractivity
84.7141
Polarizability
27.70207
Polar Surface Area
52.04
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