Molecule

ID:21296

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₁NO₃
Molecular Mass
263.33214
Exact Mass
263.15214354
Charge
0
InChI
InChI=1S/C15H21NO3/c1-10(2)12-6-4-5-7-14(12)19-11-8-13(16-9-11)15(17)18-3/h4-7,10-11,13,16H,8-9H2,1-3H3/t11?,13-/m0/s1
InChIKey
KWZJWGSZMGYCHL-YUZLPWPTSA-N
Canonic Smiles
COC(=O)[C@H]1NCC(C1)Oc1ccccc1C(C)C
Isomeric Smiles
N1[C@H](C(=O)OC)CC(Oc2c(C(C)C)cccc2)C1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.4024282
LogD (pH = 7.4)
2.4237459
Log P
2.4802158
Molar Refractivity
72.602
Polarizability
29.062769
Polar Surface Area
47.56
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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