Molecule

ID:51495

General Information
Structure
MolImage
Molecular Formula
C₂₂H₂₁N
Molecular Mass
299.40884
Exact Mass
299.16739968
Charge
0
InChI
InChI=1S/C22H21N/c1-4-10-18(11-5-1)21-16-23(17-21)22(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21-22H,16-17H2
InChIKey
PAXDHGAELYIMBD-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)C1CN(C1)C(c1ccccc1)c1ccccc1
Isomeric Smiles
N1(CC(C1)c1ccccc1)C(c1ccccc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.0912378
LogD (pH = 7.4)
3.7538767
Log P
5.200445
Molar Refractivity
96.2913
Polarizability
37.74798
Polar Surface Area
3.24
Rotatable Bonds
4
Lipinski's Rule of Five
false
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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