Molecule
ID:60673
General Information
Molecular Formula
C₁₈H₁₇N₃O₂
Molecular Mass
307.34648
Exact Mass
307.1320768
Charge
0
InChI
InChI=1S/C18H17N3O2/c1-10-7-18(2,3)21-16-13(10)5-12(23-4)6-14(16)15(17(21)22)11(8-19)9-20/h5-6,10H,7H2,1-4H3
InChIKey
OEQYAOOKOSHGTE-UHFFFAOYSA-N
Canonic Smiles
N#CC(=C1C(=O)N2c3c1cc(OC)cc3C(CC2(C)C)C)C#N
Isomeric Smiles
N12C(=O)C(=C(C#N)C#N)c3c1c(C(CC2(C)C)C)cc(c3)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.2997262
LogD (pH = 7.4)
2.2997265
Log P
2.2997265
Molar Refractivity
86.4066
Polarizability
32.350708
Polar Surface Area
77.12
Rotatable Bonds
1
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...