Molecule

ID:34981

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₀N₂O₂
Molecular Mass
272.3422
Exact Mass
272.15247789
Charge
0
InChI
InChI=1S/C16H20N2O2/c1-10-4-3-5-14(11(10)2)18-9-17-13-8-12(16(19)20)6-7-15(13)18/h6-11,14H,3-5H2,1-2H3,(H,19,20)
InChIKey
JFJGSDXMDSYRFY-UHFFFAOYSA-N
Canonic Smiles
CC1CCCC(C1C)n1cnc2c1ccc(c2)C(=O)O
Isomeric Smiles
n1(cnc2c1ccc(C(=O)O)c2)C1C(C(CCC1)C)C
Calculated Properties
JChem
Acid pKa
2.3250053
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.3106892
LogD (pH = 7.4)
0.9754943
Log P
2.4632864
Molar Refractivity
77.1558
Polarizability
30.89671
Polar Surface Area
55.12
Rotatable Bonds
2
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