Molecule

ID:11618

General Information
Structure
Molecular Formula
C₁₉H₁₉NO₂
Molecular Mass
293.35966
Exact Mass
293.14157885
Charge
0
InChI
InChI=1S/C19H19NO2/c1-21-17-11-9-16(10-12-17)20-18(19-8-5-13-22-19)14-15-6-3-2-4-7-15/h2-13,18,20H,14H2,1H3
InChIKey
KXPLEYALQFCFHR-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)NC(c1ccco1)Cc1ccccc1
Isomeric Smiles
c1(C(Nc2ccc(cc2)OC)Cc2ccccc2)occc1
Calculated Properties
JChem
Acid pKa
19.506044
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.1370306
LogD (pH = 7.4)
4.14586
Log P
4.1459737
Molar Refractivity
88.7563
Polarizability
33.653564
Polar Surface Area
34.4
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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