Molecule

ID:89504

General Information
Structure
Molecular Formula
C₁₉H₂₅N₃
Molecular Mass
295.4219
Exact Mass
295.20484782
Charge
0
InChI
InChI=1S/C19H25N3/c1-15(2)16-3-7-18(8-4-16)21-11-13-22(14-12-21)19-9-5-17(20)6-10-19/h3-10,15H,11-14,20H2,1-2H3
InChIKey
YJKXDLWIOXBSGD-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)N1CCN(CC1)c1ccc(cc1)C(C)C
Isomeric Smiles
N1(c2ccc(cc2)C(C)C)CCN(c2ccc(cc2)N)CC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.6862512
LogD (pH = 7.4)
4.221891
Log P
4.235613
Molar Refractivity
95.9264
Polarizability
35.46541
Polar Surface Area
32.5
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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