Molecule

ID:21338

General Information
Structure
MolImage
Molecular Formula
C₂₀H₃₁NO₃
Molecular Mass
333.46504
Exact Mass
333.23039386
Charge
0
InChI
InChI=1S/C20H31NO3/c1-19(2,3)13-20(4,5)14-7-9-15(10-8-14)24-16-11-17(21-12-16)18(22)23-6/h7-10,16-17,21H,11-13H2,1-6H3/t16-,17-/m0/s1
InChIKey
NTFFOXBDBQOQIA-IRXDYDNUSA-N
Canonic Smiles
COC(=O)[C@H]1NC[C@H](C1)Oc1ccc(cc1)C(CC(C)(C)C)(C)C
Isomeric Smiles
N1[C@H](C(=O)OC)C[C@H](Oc2ccc(C(CC(C)(C)C)(C)C)cc2)C1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.178012
LogD (pH = 7.4)
4.1999073
Log P
4.2564664
Molar Refractivity
95.3028
Polarizability
38.270756
Polar Surface Area
47.56
Rotatable Bonds
7
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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