Molecule

ID:47889

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₈N₂
Molecular Mass
238.32752
Exact Mass
238.14699859
Charge
0
InChI
InChI=1S/C16H18N2/c1-12-11-14(8-9-15(12)17)18-10-4-6-13-5-2-3-7-16(13)18/h2-3,5,7-9,11H,4,6,10,17H2,1H3
InChIKey
PUOFSEQVNXCDQN-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1C)N1CCCc2c1cccc2
Isomeric Smiles
N1(c2cc(c(cc2)N)C)c2c(CCC1)cccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.5993943
LogD (pH = 7.4)
3.8024824
Log P
3.8058002
Molar Refractivity
77.0931
Polarizability
28.7254
Polar Surface Area
29.26
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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