Molecule

ID:89508

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₅N₃
Molecular Mass
295.4219
Exact Mass
295.20484782
Charge
0
InChI
InChI=1S/C19H25N3/c1-2-3-16-4-8-18(9-5-16)21-12-14-22(15-13-21)19-10-6-17(20)7-11-19/h4-11H,2-3,12-15,20H2,1H3
InChIKey
NDFQFYZUPBDCLJ-UHFFFAOYSA-N
Canonic Smiles
CCCc1ccc(cc1)N1CCN(CC1)c1ccc(cc1)N
Isomeric Smiles
N1(c2ccc(cc2)CCC)CCN(c2ccc(cc2)N)CC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.842723
LogD (pH = 7.4)
4.3794055
Log P
4.3931623
Molar Refractivity
95.9788
Polarizability
35.466087
Polar Surface Area
32.5
Rotatable Bonds
4
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