Molecule

ID:19855

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₇NO₂
Molecular Mass
243.30098
Exact Mass
243.12592879
Charge
0
InChI
InChI=1S/C15H17NO2/c1-10-4-6-13(12(16)8-10)18-14-7-5-11(2)9-15(14)17-3/h4-9H,16H2,1-3H3
InChIKey
KPYBKZOVURWYOE-UHFFFAOYSA-N
Canonic Smiles
COc1cc(C)ccc1Oc1ccc(cc1N)C
Isomeric Smiles
O(c1c(cc(cc1)C)N)c1c(cc(cc1)C)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.51149
LogD (pH = 7.4)
3.5137496
Log P
3.5137784
Molar Refractivity
73.5448
Polarizability
27.850662
Polar Surface Area
44.48
Rotatable Bonds
3
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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