Molecule

ID:13347

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄N₂O
Molecular Mass
248.36386
Exact Mass
248.1888634
Charge
0
InChI
InChI=1S/C15H24N2O/c1-14-5-2-3-6-15(14)13-16-7-4-8-17-9-11-18-12-10-17/h2-3,5-6,16H,4,7-13H2,1H3
InChIKey
FCMLIHBRXOFVFY-UHFFFAOYSA-N
Canonic Smiles
Cc1ccccc1CNCCCN1CCOCC1
Isomeric Smiles
C1OCCN(C1)CCCNCc1c(cccc1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.0135837
LogD (pH = 7.4)
-0.56676126
Log P
1.9051199
Molar Refractivity
76.3062
Polarizability
29.863815
Polar Surface Area
24.5
Rotatable Bonds
6
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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