Molecule

ID:19101

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄N₂O
Molecular Mass
248.36386
Exact Mass
248.1888634
Charge
0
InChI
InChI=1S/C15H24N2O/c1-12-7-9-17(10-8-12)14(11-16)13-5-3-4-6-15(13)18-2/h3-6,12,14H,7-11,16H2,1-2H3
InChIKey
ZIYVUKBXAFBXFB-UHFFFAOYSA-N
Canonic Smiles
NCC(c1ccccc1OC)N1CCC(CC1)C
Isomeric Smiles
N1(C(c2c(OC)cccc2)CN)CCC(CC1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.8903253
LogD (pH = 7.4)
0.3809579
Log P
2.1571398
Molar Refractivity
75.3745
Polarizability
29.925402
Polar Surface Area
38.49
Rotatable Bonds
4
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
No Data Available
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Molecule Details
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References
Bioactivity
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