Molecule

ID:88549

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₁NO₃
Molecular Mass
263.33214
Exact Mass
263.15214354
Charge
0
InChI
InChI=1S/C15H21NO3/c1-14(2,3)19-13(17)16-15(8-9-15)11-6-5-7-12(10-11)18-4/h5-7,10H,8-9H2,1-4H3,(H,16,17)
InChIKey
AEDNDADPACDDOM-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)C1(CC1)NC(=O)OC(C)(C)C
Isomeric Smiles
N(C1(c2cc(ccc2)OC)CC1)C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
13.960288
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.8227737
LogD (pH = 7.4)
2.8227735
Log P
2.8227737
Molar Refractivity
72.9684
Polarizability
28.7467
Polar Surface Area
47.56
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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