Molecule

ID:14487

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₈N₂O
Molecular Mass
254.32692
Exact Mass
254.14191321
Charge
0
InChI
InChI=1S/C16H18N2O/c1-11-7-12(2)15-13(8-11)9-14(10-19)16(17-15)18-5-3-4-6-18/h7-10H,3-6H2,1-2H3
InChIKey
IFIFSJPKQGJMMI-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc2cc(C)cc(c2nc1N1CCCC1)C
Isomeric Smiles
c1(c(cc2c(n1)c(cc(c2)C)C)C=O)N1CCCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.878006
LogD (pH = 7.4)
3.9771173
Log P
3.9785445
Molar Refractivity
78.9288
Polarizability
30.172253
Polar Surface Area
33.2
Rotatable Bonds
2
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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