Molecule
ID:121693
General Information
Molecular Formula
C₁₆H₁₆N₄
Molecular Mass
264.32504
Exact Mass
264.13749653
Charge
0
InChI
InChI=1S/C16H16N4/c1-10-14(11-6-3-2-4-7-11)16-18-13-9-5-8-12(13)15(17)20(16)19-10/h2-4,6-7H,5,8-9,17H2,1H3
InChIKey
MQFLBQRNEKFWRS-UHFFFAOYSA-N
Canonic Smiles
Cc1nn2c(c1c1ccccc1)nc1c(c2N)CCC1
Isomeric Smiles
n12c(c(c(n2)C)c2ccccc2)nc2c(c1N)CCC2
Calculated Properties
Provided by Enamine
CLogP
3.05
H Donor
1
Polar Surface Area
56.21
Rotatable Bonds
1
JChem
Log P
2.57
LogD (pH = 7.4)
2.57
LogD (pH = 5.5)
2.57
Rotatable Bonds
1
H Donor
1
H Acceptors
3
Polar Surface Area
56.21
Molar Refractivity
89
Polarizability
29.99
Lipinski's Rule of Five
true
LOG S
-4.33
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...