Molecule

ID:11042

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₇NO₃
Molecular Mass
283.32178
Exact Mass
283.12084341
Charge
0
InChI
InChI=1S/C17H17NO3/c19-15(11-12-16(20)21)18-17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,17H,11-12H2,(H,18,19)(H,20,21)
InChIKey
WYGOGSVHGJFUKT-UHFFFAOYSA-N
Canonic Smiles
O=C(NC(c1ccccc1)c1ccccc1)CCC(=O)O
Isomeric Smiles
N(C(c1ccccc1)c1ccccc1)C(=O)CCC(=O)O
Calculated Properties
JChem
Acid pKa
4.391636
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.3876575
LogD (pH = 7.4)
-0.3674731
Log P
2.5269637
Molar Refractivity
79.1513
Polarizability
30.839865
Polar Surface Area
66.4
Rotatable Bonds
6
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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