Molecule

ID:31535

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄N₂O
Molecular Mass
248.36386
Exact Mass
248.1888634
Charge
0
InChI
InChI=1S/C15H24N2O/c1-12-5-7-17(8-6-12)9-10-18-15-4-3-13(2)11-14(15)16/h3-4,11-12H,5-10,16H2,1-2H3
InChIKey
PRGAVHDYBYEUTL-UHFFFAOYSA-N
Canonic Smiles
CC1CCN(CC1)CCOc1ccc(cc1N)C
Isomeric Smiles
N1(CCC(CC1)C)CCOc1c(cc(cc1)C)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.5537396
LogD (pH = 7.4)
1.0568001
Log P
2.6560998
Molar Refractivity
76.9725
Polarizability
29.45466
Polar Surface Area
38.49
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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