Molecule

ID:65279

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₅NO₃
Molecular Mass
315.4067
Exact Mass
315.18344367
Charge
0
InChI
InChI=1S/C19H25NO3/c1-13-5-6-15-14(11-13)16(21)12-19(15)7-9-20(10-8-19)17(22)23-18(2,3)4/h5-6,11H,7-10,12H2,1-4H3
InChIKey
GMNMSSYQHRQWMH-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(c1)C(=O)CC12CCN(CC1)C(=O)OC(C)(C)C
Isomeric Smiles
C12(CCN(CC1)C(=O)OC(C)(C)C)c1ccc(cc1C(=O)C2)C
Calculated Properties
JChem
Acid pKa
16.62248
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.0802925
LogD (pH = 7.4)
3.0802925
Log P
3.0802925
Molar Refractivity
90.0159
Polarizability
34.682934
Polar Surface Area
46.61
Rotatable Bonds
2
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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