Molecule

ID:25020

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₂N₂
Molecular Mass
254.36998
Exact Mass
254.17829871
Charge
0
InChI
InChI=1S/C17H22N2/c1-13-9-14(2)17(15(3)10-13)12-19(18)11-16-7-5-4-6-8-16/h4-10H,11-12,18H2,1-3H3
InChIKey
UWGNXKLUDHWAGJ-UHFFFAOYSA-N
Canonic Smiles
NN(Cc1c(C)cc(cc1C)C)Cc1ccccc1
Isomeric Smiles
c1(c(cc(cc1C)C)C)CN(Cc1ccccc1)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.690828
LogD (pH = 7.4)
4.112016
Log P
4.12119
Molar Refractivity
83.5263
Polarizability
31.835354
Polar Surface Area
29.26
Rotatable Bonds
4
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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