Molecule

ID:30186

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₈N₂O
Molecular Mass
278.34832
Exact Mass
278.14191321
Charge
0
InChI
InChI=1S/C18H18N2O/c1-13-7-8-17-15(9-13)10-16(18(21)20-17)12-19-11-14-5-3-2-4-6-14/h2-10,19H,11-12H2,1H3,(H,20,21)
InChIKey
JLAYHQZRQPWOJW-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(c1)cc(c(=O)[nH]2)CNCc1ccccc1
Isomeric Smiles
c1(c(=O)[nH]c2c(c1)cc(cc2)C)CNCc1ccccc1
Calculated Properties
JChem
Acid pKa
13.87289
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.5436992
LogD (pH = 7.4)
2.2443125
Log P
3.2755148
Molar Refractivity
87.4969
Polarizability
32.751274
Polar Surface Area
41.13
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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