Molecule

ID:35775

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₆N₂O₂
Molecular Mass
280.32114
Exact Mass
280.12117776
Charge
0
InChI
InChI=1S/C17H16N2O2/c1-10-4-6-15(11(2)8-10)19-12(3)18-14-9-13(17(20)21)5-7-16(14)19/h4-9H,1-3H3,(H,20,21)
InChIKey
NFKMFKQSSTZBMA-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)C)n1c(C)nc2c1ccc(c2)C(=O)O
Isomeric Smiles
n1(c(nc2c1ccc(C(=O)O)c2)C)c1c(cc(cc1)C)C
Calculated Properties
JChem
Acid pKa
2.3274415
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.5791365
LogD (pH = 7.4)
0.46854237
Log P
1.6738542
Molar Refractivity
91.7414
Polarizability
32.56027
Polar Surface Area
55.12
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