Molecule

ID:19937

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₇NO₃
Molecular Mass
271.31108
Exact Mass
271.12084341
Charge
0
InChI
InChI=1S/C16H17NO3/c1-11-3-8-14(17)15(9-11)20-13-6-4-12(5-7-13)10-16(18)19-2/h3-9H,10,17H2,1-2H3
InChIKey
OTXHYLLOSBDBNR-UHFFFAOYSA-N
Canonic Smiles
COC(=O)Cc1ccc(cc1)Oc1cc(C)ccc1N
Isomeric Smiles
c1(Oc2ccc(CC(=O)OC)cc2)c(ccc(c1)C)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.9383817
LogD (pH = 7.4)
2.9416292
Log P
2.941671
Molar Refractivity
78.1171
Polarizability
29.844812
Polar Surface Area
61.55
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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