Molecule

ID:28978

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₉N
Molecular Mass
225.32876
Exact Mass
225.15174961
Charge
0
InChI
InChI=1S/C16H19N/c1-14-9-11-16(12-10-14)17-13-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-12,17H,5,8,13H2,1H3
InChIKey
HGBZCNSJZRBAFV-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)NCCCc1ccccc1
Isomeric Smiles
c1(NCCCc2ccccc2)ccc(cc1)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.100673
LogD (pH = 7.4)
4.4113073
Log P
4.417148
Molar Refractivity
75.2616
Polarizability
28.366142
Polar Surface Area
12.03
Rotatable Bonds
5
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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