Molecule

ID:52604

General Information
Structure
Molecular Formula
C₁₄H₁₇NO₃
Molecular Mass
247.28968
Exact Mass
247.12084341
Charge
0
InChI
InChI=1S/C14H17NO3/c1-10(11-6-4-3-5-7-11)15-9-12(8-13(15)16)14(17)18-2/h3-7,10,12H,8-9H2,1-2H3/t10-,12-/m1/s1
InChIKey
BENQIPNJLDAXAT-ZYHUDNBSSA-N
Canonic Smiles
COC(=O)[C@H]1CN(C(=O)C1)[C@@H](c1ccccc1)C
Isomeric Smiles
[C@@H]1(CN(C(=O)C1)[C@@H](c1ccccc1)C)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.3096609
LogD (pH = 7.4)
1.3096609
Log P
1.3096609
Molar Refractivity
67.041
Polarizability
26.308695
Polar Surface Area
46.61
Rotatable Bonds
4
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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