Molecule

ID:136200

General Information
Structure
Molecular Formula
C₁₅H₂₁NO₃
Molecular Mass
263.33214
Exact Mass
263.15214354
Charge
0
InChI
InChI=1S/C15H21NO3/c1-15(2,3)19-14(18)16-12-9-8-10-6-4-5-7-11(10)13(12)17/h4-7,12-13,17H,8-9H2,1-3H3,(H,16,18)/t12-,13-/m0/s1
InChIKey
RLWZMXCQUSZXSY-STQMWFEESA-N
Canonic Smiles
O=C(OC(C)(C)C)N[C@H]1CCc2c([C@@H]1O)cccc2
Isomeric Smiles
CC(C)(C)OC(=O)N[C@H]1CCc2ccccc2[C@@H]1O
Calculated Properties
JChem
Acid pKa
13.686924
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.5050008
LogD (pH = 7.4)
2.5050008
Log P
2.5050008
Molar Refractivity
72.9477
Polarizability
28.687422
Polar Surface Area
58.56
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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