Molecule

ID:74451

General Information
Structure
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Molecular Formula
C₁₆H₂₀N₂
Molecular Mass
240.3434
Exact Mass
240.16264865
Charge
0
InChI
InChI=1S/C16H20N2/c1-9-5-13(6-10(2)15(9)17)14-7-11(3)16(18)12(4)8-14/h5-8H,17-18H2,1-4H3
InChIKey
UAIUNKRWKOVEES-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(cc(c1N)C)c1cc(C)c(c(c1)C)N
Isomeric Smiles
Nc1c(cc(cc1C)c1cc(c(c(c1)C)N)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.980853
LogD (pH = 7.4)
4.015844
Log P
4.016305
Molar Refractivity
80.7598
Polarizability
30.724943
Polar Surface Area
52.04
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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