Molecule

ID:28917

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₉N
Molecular Mass
225.32876
Exact Mass
225.15174961
Charge
0
InChI
InChI=1S/C16H19N/c1-12-8-13(2)10-16(9-12)17-11-15-7-5-4-6-14(15)3/h4-10,17H,11H2,1-3H3
InChIKey
DCRKUQMMZIFKQM-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(NCc2ccccc2C)cc(c1)C
Isomeric Smiles
N(c1cc(cc(c1)C)C)Cc1c(C)cccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.692667
LogD (pH = 7.4)
4.710529
Log P
4.710761
Molar Refractivity
75.988
Polarizability
28.28102
Polar Surface Area
12.03
Rotatable Bonds
3
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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