Molecule

ID:126130

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₉N
Molecular Mass
225.32876
Exact Mass
225.15174961
Charge
0
InChI
InChI=1S/C16H19N/c1-13(17-2)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,16-17H,1-2H3
InChIKey
YZFPOMOQFPMBPK-UHFFFAOYSA-N
Canonic Smiles
CNC(C(c1ccccc1)c1ccccc1)C
Isomeric Smiles
c1ccccc1C(C(C)NC)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.507078
LogD (pH = 7.4)
1.0380077
Log P
3.7356076
Molar Refractivity
73.0464
Polarizability
28.854889
Polar Surface Area
12.03
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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