Molecule

ID:18219

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₄N₂
Molecular Mass
198.26366
Exact Mass
198.11569846
Charge
0
InChI
InChI=1S/C13H14N2/c14-13-3-1-2-12(10-13)5-4-11-6-8-15-9-7-11/h1-3,6-10H,4-5,14H2
InChIKey
KFJRPNNTWKWJHB-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)CCc1ccncc1
Isomeric Smiles
n1ccc(CCc2cc(N)ccc2)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.0832024
LogD (pH = 7.4)
2.4551148
Log P
2.46301
Molar Refractivity
62.9397
Polarizability
23.725946
Polar Surface Area
38.91
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