Molecule

ID:35318

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₈N₂
Molecular Mass
238.32752
Exact Mass
238.14699859
Charge
0
InChI
InChI=1S/C16H18N2/c1-12-7-8-13(2)18(12)10-9-14-11-17-16-6-4-3-5-15(14)16/h3-8,11,17H,9-10H2,1-2H3
InChIKey
DVRSFBAQFCZILZ-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(n1CCc1c[nH]c2c1cccc2)C
Isomeric Smiles
n1(c(ccc1C)C)CCc1c[nH]c2c1cccc2
Calculated Properties
JChem
Acid pKa
17.11536
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
3.7878249
LogD (pH = 7.4)
3.7878249
Log P
3.7878249
Molar Refractivity
76.467
Polarizability
29.98912
Polar Surface Area
20.72
Rotatable Bonds
3
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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