Molecule

ID:67544

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₁NO₃
Molecular Mass
263.33214
Exact Mass
263.15214354
Charge
0
InChI
InChI=1S/C15H21NO3/c1-15(2,3)19-14(17)16-12(13-10-18-13)9-11-7-5-4-6-8-11/h4-8,12-13H,9-10H2,1-3H3,(H,16,17)/t12-,13+/m0/s1
InChIKey
NVPOUMXZERMIJK-QWHCGFSZSA-N
Canonic Smiles
O=C(OC(C)(C)C)N[C@H]([C@@H]1OC1)Cc1ccccc1
Isomeric Smiles
C1[C@H]([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)O1
Calculated Properties
JChem
Acid pKa
14.284454
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.7808065
LogD (pH = 7.4)
2.7808065
Log P
2.7808065
Molar Refractivity
72.5743
Polarizability
28.766449
Polar Surface Area
50.86
Rotatable Bonds
6
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
References
Bioactivity
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