Molecule

ID:118017

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₇N₃
Molecular Mass
215.29418
Exact Mass
215.14224756
Charge
0
InChI
InChI=1S/C13H17N3/c1-10-7-12(8-14)11(2)16(10)9-13-5-3-4-6-15-13/h3-7H,8-9,14H2,1-2H3
InChIKey
KBUBJUCVBOMEOG-UHFFFAOYSA-N
Canonic Smiles
NCc1cc(n(c1C)Cc1ccccn1)C
Isomeric Smiles
n1(c(c(cc1C)CN)C)Cc1ncccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.721437
LogD (pH = 7.4)
-0.7422941
Log P
1.3899697
Molar Refractivity
66.4198
Polarizability
25.402094
Polar Surface Area
43.84
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