Molecule

ID:60044

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆N₂O
Molecular Mass
240.30034
Exact Mass
240.12626314
Charge
0
InChI
InChI=1S/C15H16N2O/c1-10-6-7-15(18-10)12(8-16)13-9-17-14-5-3-2-4-11(13)14/h2-7,9,12,17H,8,16H2,1H3
InChIKey
WWCXHACKCXBIQX-UHFFFAOYSA-N
Canonic Smiles
NCC(c1c[nH]c2c1cccc2)c1ccc(o1)C
Isomeric Smiles
c1(c[nH]c2c1cccc2)C(c1oc(cc1)C)CN
Calculated Properties
JChem
Acid pKa
16.177929
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
-0.8474975
LogD (pH = 7.4)
0.16236587
Log P
2.1306715
Molar Refractivity
72.5353
Polarizability
28.933525
Polar Surface Area
54.95
Rotatable Bonds
3
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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