Molecule

ID:115970

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₈N₂O₂
Molecular Mass
270.32632
Exact Mass
270.13682783
Charge
0
InChI
InChI=1S/C16H18N2O2/c1-11-7-14(10-17)8-12(2)16(11)19-6-4-5-15-9-13(3)18-20-15/h7-9H,4-6H2,1-3H3
InChIKey
NTPDIYPZAUXUOM-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cc(C)c(c(c1)C)OCCCc1onc(c1)C
Isomeric Smiles
n1oc(cc1C)CCCOc1c(cc(C#N)cc1C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.416166
LogD (pH = 7.4)
3.416225
Log P
3.4162257
Molar Refractivity
78.3588
Polarizability
29.150808
Polar Surface Area
59.05
Rotatable Bonds
5
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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