Molecule
ID:90847
General Information
Molecular Formula
C₁₁H₁₄N₂
Molecular Mass
174.24226
Exact Mass
174.11569846
Charge
0
InChI
InChI=1S/C11H14N2/c1-8-10(7-12-2)9-5-3-4-6-11(9)13-8/h3-6,12-13H,7H2,1-2H3
InChIKey
QSEWWKLGOWVVGC-UHFFFAOYSA-N
Canonic Smiles
CNCc1c(C)[nH]c2c1cccc2
Isomeric Smiles
[nH]1c2c(cccc2)c(c1C)CNC
Calculated Properties
JChem
Acid pKa
16.186401
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
-1.3816686
LogD (pH = 7.4)
-0.58295965
Log P
1.8299179
Molar Refractivity
55.5422
Polarizability
22.615135
Polar Surface Area
27.82
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
No Data Available
Click here to submit data
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
Loading...
Bioactivity
Loading...