Molecule
ID:121423
General Information
Molecular Formula
C₁₄H₁₇NO
Molecular Mass
215.29088
Exact Mass
215.13101417
Charge
0
InChI
InChI=1S/C14H17NO/c1-11(16)9-15-10-13-7-4-6-12-5-2-3-8-14(12)13/h2-8,11,15-16H,9-10H2,1H3
InChIKey
DNGJAUHSLOEHST-UHFFFAOYSA-N
Canonic Smiles
CC(CNCc1cccc2c1cccc2)O
Isomeric Smiles
c12c(CNCC(O)C)cccc1cccc2
Calculated Properties
JChem
Acid pKa
15.29605
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.9392294
LogD (pH = 7.4)
0.07409488
Log P
2.2475445
Molar Refractivity
66.4673
Polarizability
27.451807
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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