Molecule

ID:29844

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₂
Molecular Mass
174.24226
Exact Mass
174.11569846
Charge
0
InChI
InChI=1S/C11H14N2/c1-11(2,3)9-7-8-5-4-6-12-10(8)13-9/h4-7H,1-3H3,(H,12,13)
InChIKey
ZUVOATWKIJYDMN-UHFFFAOYSA-N
Canonic Smiles
CC(c1cc2c([nH]1)nccc2)(C)C
Isomeric Smiles
c1([nH]c2c(c1)cccn2)C(C)(C)C
Calculated Properties
JChem
Acid pKa
15.545678
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.6540294
LogD (pH = 7.4)
2.6864226
Log P
2.6868548
Molar Refractivity
53.4836
Polarizability
21.299793
Polar Surface Area
28.68
Rotatable Bonds
1
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