Molecule

ID:59349

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₃N
Molecular Mass
265.39262
Exact Mass
265.18304974
Charge
0
InChI
InChI=1S/C19H23N/c1-12-3-2-4-16-8-17(20-18(12)16)19-9-13-5-14(10-19)7-15(6-13)11-19/h2-4,8,13-15,20H,5-7,9-11H2,1H3
InChIKey
YCYDCVWFCSMGGM-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc2c1[nH]c(c2)C12CC3CC(C2)CC(C1)C3
Isomeric Smiles
C1C2(CC3CC1CC(C2)C3)c1cc2c([nH]1)c(ccc2)C
Calculated Properties
JChem
Acid pKa
16.461292
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
4.854072
LogD (pH = 7.4)
4.854072
Log P
4.854072
Molar Refractivity
82.7713
Polarizability
33.55235
Polar Surface Area
15.79
Rotatable Bonds
1
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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