Molecule

ID:76833

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₉N
Molecular Mass
225.32876
Exact Mass
225.15174961
Charge
0
InChI
InChI=1S/C16H19N/c1-11-5-6-15(12(2)7-11)9-16-8-14(4)17-10-13(16)3/h5-8,10H,9H2,1-4H3
InChIKey
UXLQVMDEZHZLBO-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)C)Cc1cc(C)ncc1C
Isomeric Smiles
n1cc(c(cc1C)Cc1ccc(cc1C)C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.6566439
LogD (pH = 7.4)
4.476654
Log P
4.519002
Molar Refractivity
73.3534
Polarizability
27.909857
Polar Surface Area
12.89
Rotatable Bonds
2
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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