Molecule

ID:19935

General Information
Structure
Molecular Formula
C₁₅H₁₇NO₂
Molecular Mass
243.30098
Exact Mass
243.12592879
Charge
0
InChI
InChI=1S/C15H17NO2/c1-10-4-6-12(16)14(8-10)18-13-7-5-11(2)9-15(13)17-3/h4-9H,16H2,1-3H3
InChIKey
NOLCESKCBIERIC-UHFFFAOYSA-N
Canonic Smiles
COc1cc(C)ccc1Oc1cc(C)ccc1N
Isomeric Smiles
c1(Oc2c(cc(cc2)C)OC)c(ccc(c1)C)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.5103
LogD (pH = 7.4)
3.5137346
Log P
3.5137784
Molar Refractivity
73.5448
Polarizability
27.850382
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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