Molecule

ID:73571

General Information
Structure
MolImage
Molecular Formula
C₂₁H₂₀N₂
Molecular Mass
300.3969
Exact Mass
300.16264865
Charge
0
InChI
InChI=1S/C21H20N2/c1-2-6-16(7-3-1)17-10-12-18(13-11-17)19-14-15-22-20-8-4-5-9-21(20)23-19/h1-13,19,22-23H,14-15H2
InChIKey
HNWHNOSPLHNHNX-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)c1ccc(cc1)C1CCNc2c(N1)cccc2
Isomeric Smiles
N1c2ccccc2NCCC1c1ccc(cc1)c1ccccc1
Calculated Properties
JChem
Acid pKa
19.712616
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
4.093154
LogD (pH = 7.4)
4.236529
Log P
4.2387023
Molar Refractivity
98.761
Polarizability
38.113304
Polar Surface Area
24.06
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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