Molecule

ID:126022

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₄N₂
Molecular Mass
280.40726
Exact Mass
280.19394878
Charge
0
InChI
InChI=1S/C19H24N2/c1-20-14-12-19(13-15-20)21(18-10-6-3-7-11-18)16-17-8-4-2-5-9-17/h2-11,19H,12-16H2,1H3
InChIKey
VZSXTYKGYWISGQ-UHFFFAOYSA-N
Canonic Smiles
CN1CCC(CC1)N(c1ccccc1)Cc1ccccc1
Isomeric Smiles
N(c1ccccc1)(Cc1ccccc1)C1CCN(C)CC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.7681778
LogD (pH = 7.4)
2.4568958
Log P
3.832569
Molar Refractivity
90.5503
Polarizability
34.835747
Polar Surface Area
6.48
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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