Molecule
ID:21306
General Information
Molecular Formula
C₁₅H₂₁NO₃
Molecular Mass
263.33214
Exact Mass
263.15214354
Charge
0
InChI
InChI=1S/C15H21NO3/c1-3-6-11-7-4-5-8-14(11)19-12-9-13(16-10-12)15(17)18-2/h4-5,7-8,12-13,16H,3,6,9-10H2,1-2H3/t12?,13-/m0/s1
InChIKey
NLTWNWCFFUUBIY-ABLWVSNPSA-N
Canonic Smiles
CCCc1ccccc1OC1CN[C@@H](C1)C(=O)OC
Isomeric Smiles
N1[C@H](C(=O)OC)CC(Oc2c(CCC)cccc2)C1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.5584587
LogD (pH = 7.4)
2.5810916
Log P
2.6377654
Molar Refractivity
72.6544
Polarizability
29.063406
Polar Surface Area
47.56
Rotatable Bonds
6
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
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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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