Molecule

ID:21299

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₁NO₃
Molecular Mass
263.33214
Exact Mass
263.15214354
Charge
0
InChI
InChI=1S/C15H21NO3/c1-9-5-10(2)11(3)14(6-9)19-12-7-13(16-8-12)15(17)18-4/h5-6,12-13,16H,7-8H2,1-4H3/t12?,13-/m0/s1
InChIKey
WCRTWDNKIBQRHU-ABLWVSNPSA-N
Canonic Smiles
COC(=O)[C@H]1NCC(C1)Oc1cc(C)cc(c1C)C
Isomeric Smiles
c1(c(c(cc(c1)C)C)C)OC1C[C@H](NC1)C(=O)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.6895218
LogD (pH = 7.4)
2.717899
Log P
2.7754707
Molar Refractivity
73.5348
Polarizability
28.91044
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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