Molecule

ID:30185

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₈N₂O
Molecular Mass
278.34832
Exact Mass
278.14191321
Charge
0
InChI
InChI=1S/C18H18N2O/c1-13-7-8-15-10-16(18(21)20-17(15)9-13)12-19-11-14-5-3-2-4-6-14/h2-10,19H,11-12H2,1H3,(H,20,21)
InChIKey
LGCZRENCSLBXAB-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(c1)[nH]c(=O)c(c2)CNCc1ccccc1
Isomeric Smiles
c1(c(=O)[nH]c2c(c1)ccc(c2)C)CNCc1ccccc1
Calculated Properties
JChem
Acid pKa
13.561271
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.5372074
LogD (pH = 7.4)
2.2357934
Log P
3.2755148
Molar Refractivity
87.4969
Polarizability
32.751358
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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