Molecule

ID:59293

General Information
Structure
Molecular Formula
C₁₅H₂₀N₂
Molecular Mass
228.3327
Exact Mass
228.16264865
Charge
0
InChI
InChI=1S/C15H20N2/c1-10-5-6-14-12(9-10)11-3-2-4-13-15(11)17(14)8-7-16-13/h5-6,9,11,13,15-16H,2-4,7-8H2,1H3
InChIKey
GMKHTMHRPNKUFI-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(c1)C1CCCC3C1N2CCN3
Isomeric Smiles
c1(ccc2c(c1)C1C3N2CCNC3CCC1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.1274718
LogD (pH = 7.4)
1.1535835
Log P
2.9987826
Molar Refractivity
70.8752
Polarizability
27.247221
Polar Surface Area
15.27
Rotatable Bonds
0
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
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Molecule Details
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References
Bioactivity
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