Molecule

ID:14491

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₈N₂
Molecular Mass
262.34892
Exact Mass
262.14699859
Charge
0
InChI
InChI=1S/C18H18N2/c19-13-10-8-12(9-11-13)18-16-6-3-5-14(16)15-4-1-2-7-17(15)20-18/h1-5,7-11,14,16,18,20H,6,19H2
InChIKey
BOWDFTQRMBLAGO-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)C1Nc2ccccc2C2C1CC=C2
Isomeric Smiles
C12C(c3ccc(cc3)N)Nc3c(C1C=CC2)cccc3
Calculated Properties
JChem
Acid pKa
18.78289
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.1253238
LogD (pH = 7.4)
3.1562994
Log P
3.1567085
Molar Refractivity
86.0812
Polarizability
31.604853
Polar Surface Area
38.05
Rotatable Bonds
1
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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