Molecule
ID:115398
General Information
Molecular Formula
C₁₈H₂₀N₂O₂
Molecular Mass
296.3636
Exact Mass
296.15247789
Charge
0
InChI
InChI=1S/C18H20N2O2/c21-17(20-13-11-19-12-14-20)18(22,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,19,22H,11-14H2
InChIKey
FKDXYPUBGQSSJL-UHFFFAOYSA-N
Canonic Smiles
O=C(C(c1ccccc1)(c1ccccc1)O)N1CCNCC1
Isomeric Smiles
C(=O)(C(c1ccccc1)(c1ccccc1)O)N1CCNCC1
Calculated Properties
JChem
Acid pKa
11.486704
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.61269975
LogD (pH = 7.4)
1.101288
Log P
1.6620282
Molar Refractivity
85.8531
Polarizability
33.588356
Polar Surface Area
52.57
Rotatable Bonds
3
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...