Molecule

ID:21346

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₉NO₃
Molecular Mass
261.31626
Exact Mass
261.13649347
Charge
0
InChI
InChI=1S/C15H19NO3/c1-18-15(17)14-8-13(9-16-14)19-12-6-5-10-3-2-4-11(10)7-12/h5-7,13-14,16H,2-4,8-9H2,1H3/t13-,14-/m0/s1
InChIKey
BRGZLHWOZFSFEC-KBPBESRZSA-N
Canonic Smiles
COC(=O)[C@H]1NC[C@H](C1)Oc1ccc2c(c1)CCC2
Isomeric Smiles
N1[C@H](C(=O)OC)C[C@H](Oc2cc3c(cc2)CCC3)C1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.1605693
LogD (pH = 7.4)
2.1858122
Log P
2.2428923
Molar Refractivity
71.2924
Polarizability
28.258287
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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