Molecule

ID:48581

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₇N₃
Molecular Mass
239.31558
Exact Mass
239.14224756
Charge
0
InChI
InChI=1S/C15H17N3/c16-9-12-5-6-15(17-10-12)18-8-7-13-3-1-2-4-14(13)11-18/h1-6,10H,7-9,11,16H2
InChIKey
GCHRNHRZICICMB-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc(nc1)N1CCc2c(C1)cccc2
Isomeric Smiles
N1(c2ncc(cc2)CN)Cc2c(CC1)cccc2
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.64711356
LogD (pH = 7.4)
0.4856413
Log P
2.3482049
Molar Refractivity
75.0388
Polarizability
28.269695
Polar Surface Area
42.15
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