Molecule

ID:34329

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₂N₂
Molecular Mass
254.36998
Exact Mass
254.17829871
Charge
0
InChI
InChI=1S/C17H22N2/c1-10-7-16(18)12(3)5-14(10)9-15-6-13(4)17(19)8-11(15)2/h5-8H,9,18-19H2,1-4H3
InChIKey
IHUCOFCWZZXKSE-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(N)c(cc1Cc1cc(C)c(cc1C)N)C
Isomeric Smiles
C(c1c(cc(c(c1)C)N)C)c1cc(c(cc1C)N)C
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
4.370962
LogD (pH = 7.4)
4.4596553
Log P
4.4608736
Molar Refractivity
85.3608
Polarizability
31.07474
Polar Surface Area
52.04
Rotatable Bonds
2
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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