Molecule

ID:16927

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₈N₂O
Molecular Mass
266.33762
Exact Mass
266.14191321
Charge
0
InChI
InChI=1S/C17H18N2O/c20-17-8-4-1-5-14(17)11-18-10-9-13-12-19-16-7-3-2-6-15(13)16/h1-8,12,18-20H,9-11H2
InChIKey
NUCDWASRCGAPHW-UHFFFAOYSA-N
Canonic Smiles
Oc1ccccc1CNCCc1c[nH]c2c1cccc2
Isomeric Smiles
c12c(c[nH]c1cccc2)CCNCc1c(cccc1)O
Calculated Properties
JChem
Acid pKa
8.096397
H Acceptors
2
H Donor
3
LogD (pH = 5.5)
0.21882884
LogD (pH = 7.4)
1.4459172
Log P
2.1689389
Molar Refractivity
81.741
Polarizability
32.789726
Polar Surface Area
48.05
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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