Molecule

ID:14718

General Information
Structure
Molecular Formula
C₁₇H₁₈N₂O
Molecular Mass
266.33762
Exact Mass
266.14191321
Charge
0
InChI
InChI=1S/C17H18N2O/c1-11-2-3-15-14(10-11)17-13(6-9-20-17)16(19-15)12-4-7-18-8-5-12/h2-5,7-8,10,13,16-17,19H,6,9H2,1H3
InChIKey
YZFLWQYXBOQANK-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(c1)C1OCCC1C(N2)c1ccncc1
Isomeric Smiles
C12C(c3c(NC1c1ccncc1)ccc(c3)C)OCC2
Calculated Properties
JChem
Acid pKa
18.752697
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.2459223
LogD (pH = 7.4)
2.354165
Log P
2.3557823
Molar Refractivity
80.2374
Polarizability
30.366722
Polar Surface Area
34.15
Rotatable Bonds
1
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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