Molecule

ID:77387

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅NO₂
Molecular Mass
241.2851
Exact Mass
241.11027873
Charge
0
InChI
InChI=1S/C15H15NO2/c16-14(15(17)18)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14H,16H2,(H,17,18)/t14-/m1/s1
InChIKey
PECGVEGMRUZOML-CQSZACIVSA-N
Canonic Smiles
N[C@H](C(c1ccccc1)c1ccccc1)C(=O)O
Isomeric Smiles
N[C@@H](C(=O)O)C(c1ccccc1)c1ccccc1
Calculated Properties
JChem
Acid pKa
2.4440005
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.3142418
LogD (pH = 7.4)
0.31057325
Log P
0.3143482
Molar Refractivity
69.6829
Polarizability
27.488144
Polar Surface Area
63.32
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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