Molecule

ID:92442

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₉NO₃
Molecular Mass
261.31626
Exact Mass
261.13649347
Charge
0
InChI
InChI=1S/C15H19NO3/c1-15(2,3)19-14(18)16-10-12(17)9-13(16)11-7-5-4-6-8-11/h4-8,13H,9-10H2,1-3H3/t13-/m0/s1
InChIKey
RDNNEKXIEMELDH-ZDUSSCGKSA-N
Canonic Smiles
O=C1CN([C@@H](C1)c1ccccc1)C(=O)OC(C)(C)C
Isomeric Smiles
N1([C@H](c2ccccc2)CC(=O)C1)C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
18.083773
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.6205053
LogD (pH = 7.4)
2.6205053
Log P
2.6205053
Molar Refractivity
71.7473
Polarizability
28.146873
Polar Surface Area
46.61
Rotatable Bonds
3
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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