Molecule

ID:61688

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₁NO₃
Molecular Mass
263.33214
Exact Mass
263.15214354
Charge
0
InChI
InChI=1S/C15H21NO3/c1-11-8-16(9-12(2)19-11)10-13-4-6-14(7-5-13)15(17)18-3/h4-7,11-12H,8-10H2,1-3H3/t11-,12+
InChIKey
RUBXNPWHLYVIKR-TXEJJXNPSA-N
Canonic Smiles
COC(=O)c1ccc(cc1)CN1C[C@H](C)O[C@@H](C1)C
Isomeric Smiles
N1(C[C@H](O[C@H](C1)C)C)Cc1ccc(C(=O)OC)cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.80234814
LogD (pH = 7.4)
2.308692
Log P
2.5327692
Molar Refractivity
74.5381
Polarizability
29.122326
Polar Surface Area
38.77
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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