Molecule

ID:29271

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₉N
Molecular Mass
225.32876
Exact Mass
225.15174961
Charge
0
InChI
InChI=1S/C16H19N/c1-13(2)15-10-8-14(9-11-15)12-17-16-6-4-3-5-7-16/h3-11,13,17H,12H2,1-2H3
InChIKey
HQUPQNBGNMSILW-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccc(cc1)CNc1ccccc1)C
Isomeric Smiles
c1(ccc(CNc2ccccc2)cc1)C(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.404292
LogD (pH = 7.4)
4.4153633
Log P
4.4155064
Molar Refractivity
75.0552
Polarizability
28.443075
Polar Surface Area
12.03
Rotatable Bonds
4
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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