Molecule

ID:15634

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀N₂O
Molecular Mass
244.3321
Exact Mass
244.15756327
Charge
0
InChI
InChI=1S/C15H20N2O/c1-17-13(9-12-5-2-3-7-15(12)17)10-16-11-14-6-4-8-18-14/h2-3,5,7,9,14,16H,4,6,8,10-11H2,1H3
InChIKey
PHCDCGOCZGADJE-UHFFFAOYSA-N
Canonic Smiles
Cn1c(CNCC2CCCO2)cc2c1cccc2
Isomeric Smiles
c1ccc2c(c1)n(c(c2)CNCC1CCCO1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.8313156
LogD (pH = 7.4)
0.661027
Log P
2.192623
Molar Refractivity
73.4214
Polarizability
29.882511
Polar Surface Area
26.19
Rotatable Bonds
4
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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