Molecule

ID:13582

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₆N₂O
Molecular Mass
262.39044
Exact Mass
262.20451346
Charge
0
InChI
InChI=1S/C16H26N2O/c1-4-18-11-9-15(10-12-18)17-13(2)14-5-7-16(19-3)8-6-14/h5-8,13,15,17H,4,9-12H2,1-3H3
InChIKey
STSCZGKZJLZTPR-UHFFFAOYSA-N
Canonic Smiles
CCN1CCC(CC1)NC(c1ccc(cc1)OC)C
Isomeric Smiles
C1C(CCN(C1)CC)NC(c1ccc(cc1)OC)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.094638
LogD (pH = 7.4)
-0.78567076
Log P
2.1741126
Molar Refractivity
80.3877
Polarizability
31.771437
Polar Surface Area
24.5
Rotatable Bonds
5
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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