Molecule

ID:35255

General Information
Structure
Molecular Formula
C₁₇H₁₈N₂O
Molecular Mass
266.33762
Exact Mass
266.14191321
Charge
0
InChI
InChI=1S/C17H18N2O/c18-9-8-14-11-19-17-7-6-15(10-16(14)17)20-12-13-4-2-1-3-5-13/h1-7,10-11,19H,8-9,12,18H2
InChIKey
WKPDXBXNJWWWGQ-UHFFFAOYSA-N
Canonic Smiles
NCCc1c[nH]c2c1cc(OCc1ccccc1)cc2
Isomeric Smiles
[nH]1cc(c2c1ccc(c2)OCc1ccccc1)CCN
Calculated Properties
JChem
Acid pKa
17.431728
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.045168165
LogD (pH = 7.4)
0.7756414
Log P
3.0532393
Molar Refractivity
81.4487
Polarizability
32.862976
Polar Surface Area
51.04
Rotatable Bonds
5
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
References
Bioactivity
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