Molecule

ID:21349

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₇NO₃
Molecular Mass
271.31108
Exact Mass
271.12084341
Charge
0
InChI
InChI=1S/C16H17NO3/c1-19-16(18)15-9-14(10-17-15)20-13-7-6-11-4-2-3-5-12(11)8-13/h2-8,14-15,17H,9-10H2,1H3/t14-,15-/m0/s1
InChIKey
LLBZZDPOIZWALC-GJZGRUSLSA-N
Canonic Smiles
COC(=O)[C@H]1NC[C@H](C1)Oc1ccc2c(c1)cccc2
Isomeric Smiles
N1[C@H](C(=O)OC)C[C@H](Oc2cc3c(cc2)cccc3)C1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.1592754
LogD (pH = 7.4)
2.16985
Log P
2.2246835
Molar Refractivity
74.8614
Polarizability
31.128471
Polar Surface Area
47.56
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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