Molecule
ID:16487
General Information
Molecular Formula
C₁₀H₁₅NO
Molecular Mass
165.2322
Exact Mass
165.11536411
Charge
0
InChI
InChI=1S/C10H15NO/c1-9(8-12)11-7-10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3
InChIKey
PJXWCRXOPLGFLX-UHFFFAOYSA-N
Canonic Smiles
OCC(NCc1ccccc1)C
Isomeric Smiles
c1(CNC(CO)C)ccccc1
Calculated Properties
JChem
Acid pKa
15.12882
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.8720502
LogD (pH = 7.4)
-0.60299057
Log P
1.2580676
Molar Refractivity
50.0171
Polarizability
19.855265
Polar Surface Area
32.26
Rotatable Bonds
4
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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