Molecule

ID:21334

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₉NO₃
Molecular Mass
297.34836
Exact Mass
297.13649347
Charge
0
InChI
InChI=1S/C18H19NO3/c1-21-18(20)17-11-16(12-19-17)22-15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,16-17,19H,11-12H2,1H3/t16-,17-/m0/s1
InChIKey
FFODGGSYXPUWHK-IRXDYDNUSA-N
Canonic Smiles
COC(=O)[C@H]1NC[C@H](C1)Oc1ccc(cc1)c1ccccc1
Isomeric Smiles
N1[C@H](C(=O)OC)C[C@H](Oc2ccc(c3ccccc3)cc2)C1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.8136476
LogD (pH = 7.4)
2.8271565
Log P
2.882432
Molar Refractivity
83.5474
Polarizability
34.58144
Polar Surface Area
47.56
Rotatable Bonds
5
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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