Molecule

ID:48255

General Information
Structure
Molecular Formula
C₁₇H₂₀N₂O₂
Molecular Mass
284.3529
Exact Mass
284.15247789
Charge
0
InChI
InChI=1S/C17H20N2O2/c1-3-21-17(20)14-9-10-16(15(18)11-14)19(2)12-13-7-5-4-6-8-13/h4-11H,3,12,18H2,1-2H3
InChIKey
LRECRIQMZBNLGK-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccc(c(c1)N)N(Cc1ccccc1)C
Isomeric Smiles
c1(N(Cc2ccccc2)C)c(cc(C(=O)OCC)cc1)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.3365006
LogD (pH = 7.4)
3.3371139
Log P
3.3371217
Molar Refractivity
86.5735
Polarizability
32.14543
Polar Surface Area
55.56
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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