Molecule

ID:13505

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₀N₂O
Molecular Mass
256.3428
Exact Mass
256.15756327
Charge
0
InChI
InChI=1S/C16H20N2O/c1-19-13-7-12-18-16(14-8-3-2-4-9-14)15-10-5-6-11-17-15/h2-6,8-11,16,18H,7,12-13H2,1H3
InChIKey
NGQKMMXYJHXLMQ-UHFFFAOYSA-N
Canonic Smiles
COCCCNC(c1ccccn1)c1ccccc1
Isomeric Smiles
c1cc(ccc1)C(c1ccccn1)NCCCOC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.06913862
LogD (pH = 7.4)
1.6625626
Log P
2.3448079
Molar Refractivity
76.8937
Polarizability
30.473251
Polar Surface Area
34.15
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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