Molecule

ID:21336

General Information
Structure
MolImage
Molecular Formula
C₂₁H₂₅NO₃
Molecular Mass
339.4281
Exact Mass
339.18344367
Charge
0
InChI
InChI=1S/C21H25NO3/c1-21(2,15-7-5-4-6-8-15)16-9-11-17(12-10-16)25-18-13-19(22-14-18)20(23)24-3/h4-12,18-19,22H,13-14H2,1-3H3/t18-,19-/m0/s1
InChIKey
ZNBGZZLUTOXGFU-OALUTQOASA-N
Canonic Smiles
COC(=O)[C@H]1NC[C@H](C1)Oc1ccc(cc1)C(c1ccccc1)(C)C
Isomeric Smiles
N1[C@H](C(=O)OC)C[C@H](Oc2ccc(C(c3ccccc3)(C)C)cc2)C1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.8397877
LogD (pH = 7.4)
3.858065
Log P
3.9140668
Molar Refractivity
107.6665
Polarizability
38.65961
Polar Surface Area
47.56
Rotatable Bonds
6
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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