Molecule

ID:47707

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₈N₂
Molecular Mass
238.32752
Exact Mass
238.14699859
Charge
0
InChI
InChI=1S/C16H18N2/c1-12-8-9-16(14(17)11-12)18-10-4-6-13-5-2-3-7-15(13)18/h2-3,5,7-9,11H,4,6,10,17H2,1H3
InChIKey
ZAGFFRSPYLXDAN-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)N)N1CCCc2c1cccc2
Isomeric Smiles
N1(c2c(cc(cc2)C)N)c2c(CCC1)cccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.7993178
LogD (pH = 7.4)
3.805718
Log P
3.8058002
Molar Refractivity
77.0931
Polarizability
28.7261
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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