Molecule

ID:21345

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉NO₃
Molecular Mass
249.30556
Exact Mass
249.13649347
Charge
0
InChI
InChI=1S/C14H19NO3/c1-3-10-4-6-11(7-5-10)18-12-8-13(15-9-12)14(16)17-2/h4-7,12-13,15H,3,8-9H2,1-2H3/t12-,13-/m0/s1
InChIKey
BTPSYXGUJACEMU-STQMWFEESA-N
Canonic Smiles
COC(=O)[C@H]1NC[C@H](C1)Oc1ccc(cc1)CC
Isomeric Smiles
N1[C@H](C(=O)OC)C[C@H](Oc2ccc(cc2)CC)C1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.1122254
LogD (pH = 7.4)
2.1362991
Log P
2.1931968
Molar Refractivity
68.0534
Polarizability
27.22171
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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