Molecule

ID:68007

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₅NO₂
Molecular Mass
253.2958
Exact Mass
253.11027873
Charge
0
InChI
InChI=1S/C16H15NO2/c18-14-11-17-15(12-7-3-1-4-8-12)16(19-14)13-9-5-2-6-10-13/h1-10,15-17H,11H2/t15-,16+/m1/s1
InChIKey
LTPOSIZJPSDSIL-CVEARBPZSA-N
Canonic Smiles
O=C1CN[C@@H]([C@@H](O1)c1ccccc1)c1ccccc1
Isomeric Smiles
N1CC(=O)O[C@H]([C@H]1c1ccccc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.762103
LogD (pH = 7.4)
2.82706
Log P
2.8279543
Molar Refractivity
72.1437
Polarizability
28.852766
Polar Surface Area
38.33
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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