Molecule

ID:30299

General Information
Structure
Molecular Formula
C₁₉H₂₀N₂O₂
Molecular Mass
308.3743
Exact Mass
308.15247789
Charge
0
InChI
InChI=1S/C19H20N2O2/c1-13-4-3-5-15-10-16(19(22)21-18(13)15)12-20-11-14-6-8-17(23-2)9-7-14/h3-10,20H,11-12H2,1-2H3,(H,21,22)
InChIKey
KDLNVFUOBDMNGB-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)CNCc1cc2cccc(c2[nH]c1=O)C
Isomeric Smiles
[nH]1c(=O)c(cc2c1c(ccc2)C)CNCc1ccc(cc1)OC
Calculated Properties
JChem
Acid pKa
13.700969
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.44682565
LogD (pH = 7.4)
2.1631043
Log P
3.1178436
Molar Refractivity
93.9601
Polarizability
35.245525
Polar Surface Area
50.36
Rotatable Bonds
5
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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