Molecule
ID:122590
General Information
Molecular Formula
C₁₉H₁₉NO₃
Molecular Mass
309.35906
Exact Mass
309.13649347
Charge
0
InChI
InChI=1S/C19H19NO3/c21-18(20-12-10-17(11-13-20)19(22)23)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-9,17H,10-13H2,(H,22,23)
InChIKey
GABASQJONDKFTJ-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc(cc1)c1ccccc1)N1CCC(CC1)C(=O)O
Isomeric Smiles
C(=O)(N1CCC(C(=O)O)CC1)c1ccc(cc1)c1ccccc1
Calculated Properties
JChem
Acid pKa
4.233702
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.7047106
LogD (pH = 7.4)
-0.018684583
Log P
2.9915743
Molar Refractivity
88.4479
Polarizability
34.938595
Polar Surface Area
57.61
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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