Molecule

ID:121465

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₆N₂O
Molecular Mass
264.32174
Exact Mass
264.12626314
Charge
0
InChI
InChI=1S/C17H16N2O/c20-17-10-14(15-8-4-5-9-16(15)19-17)12-18-11-13-6-2-1-3-7-13/h1-10,18H,11-12H2,(H,19,20)
InChIKey
OGXTXTYDUFKJNM-UHFFFAOYSA-N
Canonic Smiles
Oc1cc(CNCc2ccccc2)c2c(n1)cccc2
Isomeric Smiles
n1c(cc(c2c1cccc2)CNCc1ccccc1)O
Calculated Properties
JChem
Acid pKa
11.2989
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.7441129
LogD (pH = 7.4)
2.3113546
Log P
3.7046146
Molar Refractivity
80.1343
Polarizability
32.44233
Polar Surface Area
45.15
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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