Molecule
ID:27175
General Information
Molecular Formula
C₁₉H₁₉N₃O
Molecular Mass
305.37366
Exact Mass
305.15281224
Charge
0
InChI
InChI=1S/C19H19N3O/c1-2-5-13-8-10-14(11-9-13)18-12-16(19(23)22-20)15-6-3-4-7-17(15)21-18/h3-4,6-12H,2,5,20H2,1H3,(H,22,23)
InChIKey
IWUOKXRJSLVDSB-UHFFFAOYSA-N
Canonic Smiles
CCCc1ccc(cc1)c1nc2ccccc2c(c1)C(=O)NN
Isomeric Smiles
c1(cc(nc2c1cccc2)c1ccc(cc1)CCC)C(=O)NN
Calculated Properties
JChem
Acid pKa
14.738827
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
4.1197596
LogD (pH = 7.4)
4.1206875
Log P
4.1206994
Molar Refractivity
92.5492
Polarizability
37.720436
Polar Surface Area
68.01
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
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...