Molecule

ID:3328

General Information
Structure
Molecular Formula
C₂₀H₂₀N₂
Molecular Mass
288.3862
Exact Mass
288.16264865
Charge
0
InChI
InChI=1S/C20H20N2/c1-2-8-15(9-3-1)14-21-20-16-10-4-6-12-18(16)22-19-13-7-5-11-17(19)20/h1-4,6,8-10,12H,5,7,11,13-14H2,(H,21,22)
InChIKey
JYJAEHAURXXPSD-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)CNc1c2CCCCc2nc2c1cccc2
Isomeric Smiles
C1CCc2c(C1)nc1ccccc1c2NCc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.8581443
LogD (pH = 7.4)
3.3309608
Log P
4.6543217
Molar Refractivity
91.8441
Polarizability
36.11932
Polar Surface Area
24.92
Rotatable Bonds
3
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
5.2
LOG S
-5.42
Solubility (Water)
1.09e-03 g/l
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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