Molecule

ID:21344

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₁NO₃
Molecular Mass
311.37494
Exact Mass
311.15214354
Charge
0
InChI
InChI=1S/C19H21NO3/c1-22-19(21)18-12-17(13-20-18)23-16-9-7-15(8-10-16)11-14-5-3-2-4-6-14/h2-10,17-18,20H,11-13H2,1H3/t17-,18-/m0/s1
InChIKey
KGXSGQZASRJLQA-ROUUACIJSA-N
Canonic Smiles
COC(=O)[C@H]1NC[C@H](C1)Oc1ccc(cc1)Cc1ccccc1
Isomeric Smiles
N1[C@H](C(=O)OC)C[C@H](Oc2ccc(Cc3ccccc3)cc2)C1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.250962
LogD (pH = 7.4)
3.2707644
Log P
3.3270006
Molar Refractivity
88.1484
Polarizability
34.975388
Polar Surface Area
47.56
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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