Molecule

ID:12634

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₈N₂O
Molecular Mass
266.33762
Exact Mass
266.14191321
Charge
0
InChI
InChI=1S/C17H18N2O/c1-20-13-8-6-12(7-9-13)15(10-18)16-11-19-17-5-3-2-4-14(16)17/h2-9,11,15,19H,10,18H2,1H3
InChIKey
IUZLJHFEVNYLAW-UHFFFAOYSA-N
Canonic Smiles
NCC(c1c[nH]c2c1cccc2)c1ccc(cc1)OC
Isomeric Smiles
c1cc2c(cc1)c(c[nH]2)C(CN)c1ccc(cc1)OC
Calculated Properties
JChem
Acid pKa
16.615173
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.17580599
LogD (pH = 7.4)
0.6144058
Log P
2.827543
Molar Refractivity
81.4027
Polarizability
32.86501
Polar Surface Area
51.04
Rotatable Bonds
4
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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