Molecule

ID:111429

General Information
Structure
MolImage
Molecular Formula
C₂₁H₂₁N
Molecular Mass
287.39814
Exact Mass
287.16739968
Charge
0
InChI
InChI=1S/C21H21N/c1-4-10-19(11-5-1)16-22(17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21/h1-15H,16-18H2
InChIKey
MXHTZQSKTCCMFG-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)CN(Cc1ccccc1)Cc1ccccc1
Isomeric Smiles
C(N(Cc1ccccc1)Cc1ccccc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.3643148
LogD (pH = 7.4)
4.0800586
Log P
5.363589
Molar Refractivity
93.8259
Polarizability
36.734444
Polar Surface Area
3.24
Rotatable Bonds
6
Lipinski's Rule of Five
false
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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