Molecule

ID:13475

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₅N₃
Molecular Mass
247.3791
Exact Mass
247.20484782
Charge
0
InChI
InChI=1S/C15H25N3/c1-14(2)9-13(10-15(3,4)18-14)17-11-12-7-5-6-8-16-12/h5-8,13,17-18H,9-11H2,1-4H3
InChIKey
QIZILGTXDSTQQF-UHFFFAOYSA-N
Canonic Smiles
CC1(C)CC(NCc2ccccn2)CC(N1)(C)C
Isomeric Smiles
c1cnc(cc1)CNC1CC(NC(C1)(C)C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-3.4039757
LogD (pH = 7.4)
-1.662174
Log P
1.4334557
Molar Refractivity
74.8973
Polarizability
30.202633
Polar Surface Area
36.95
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