Molecule

ID:21365

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₀ClNO₃
Molecular Mass
345.82
Exact Mass
345.11317119
Charge
0
InChI
InChI=1S/C19H20ClNO3/c1-23-19(22)17-11-16(12-21-17)24-18-8-7-15(20)10-14(18)9-13-5-3-2-4-6-13/h2-8,10,16-17,21H,9,11-12H2,1H3/t16?,17-/m0/s1
InChIKey
DOGGXGUWDNLSDC-DJNXLDHESA-N
Canonic Smiles
COC(=O)[C@H]1NCC(C1)Oc1ccc(cc1Cc1ccccc1)Cl
Isomeric Smiles
N1[C@H](C(=O)OC)CC(Oc2c(Cc3ccccc3)cc(cc2)Cl)C1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.863365
LogD (pH = 7.4)
3.8759148
Log P
3.9310453
Molar Refractivity
92.9532
Polarizability
36.833355
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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